SCHEMBL9315978

SCHEMBL9315978

N=C(Nc1ccc(I)cc1)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.67
EPHX2 P34913 2/20 0.67
RAB9A P51151 11/20 0.46
NPC1 O15118 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL11699099 0.83 EPHX1 (0.67) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL4319424 0.80 EPHX1 (1.00) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL23453374 0.78 SMN1; SMN2 (0.71) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL2752957 0.78 EPHX1 (0.97) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL16762665 0.75 SMN1; SMN2 (0.59) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL23406296 0.75 EPHX1 (0.90) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL16679027 0.74 RAB9A (0.59) EPHX1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL11813529 0.73 LMNA (0.64) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL11815955 0.73 LMNA (0.64) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1999157 0.72 NPC1 (0.70) EPHX1EPHX2RAB9ANPC1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312840-A Substituted guanidines 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 (US) 1994-05-17 US claimed
EP-0532642-A4 1994-04-27 EP claimed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP claimed
WO-1991018868-A1 SUBSTITUTED GUANIDINES 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 onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO claimed