SCHEMBL3074844

SCHEMBL3074844

CC(=NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.59
EPHX1 P07099 6/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3074841 1.00 SIGMAR1 (0.59) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL8532827 0.94 SIGMAR1 (0.53) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL8532831 0.94 SIGMAR1 (0.53) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL8532829 0.94 SIGMAR1 (0.53) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL17719312 0.80 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL24135671 0.77 SIGMAR1 (0.64) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL10395392 0.77 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL11023207 0.77 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1NPC1RAB9A
SCHEMBL250080 0.77 SIGMAR1 (0.91) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL11023224 0.77 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834058-A Organometallic complexes of aluminium, gallium and indium THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1998-11-10 US claimed
EP-0712409-B1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM ASS OCTEL (GB) 1998-10-28 EP claimed
EP-0712409-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1996-05-22 EP claimed
WO-1995004063-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-02-09 WO claimed
EP-3853265-A1 CATALYST MIXTURE Arlanxeo Netherlands B.V. (NL) 2021-07-28 EP disclosed
EP-3781582-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands B.V. (NL) 2021-02-24 EP disclosed
EP-3732183-A1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands B.V. (NL) 2020-11-04 EP disclosed
WO-2020058267-A1 CATALYST MIXTURE ARLANXEO NETHERLANDS B.V. (NL) 2020-03-26 WO disclosed
WO-2019201838-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO disclosed
WO-2019203676-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO disclosed
EP-3334768-A1 CATALYST SYSTEM Arlanxeo Netherlands B.V. (NL) 2018-06-20 EP disclosed
EP-3194412-A1 METAL COMPLEX COMPRISING AMIDINE AND SUBSTITUTED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands B.V. (NL) 2017-07-26 EP disclosed
EP-0712409-B1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM ASS OCTEL (GB) 1998-10-28 EP disclosed
US-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 US disclosed
EP-0712409-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1996-05-22 EP disclosed
WO-1995004063-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-02-09 WO disclosed
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP disclosed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 US disclosed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP disclosed
WO-1992004054-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITY, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO disclosed