SCHEMBL8996650

SCHEMBL8996650

N=C(Nc1ccc(I)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.68
AR P10275 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11698867 0.84 EPHX2 (0.68) EPHX2MEN1KMT2ARAB9A
SCHEMBL6724207 0.84 EPHX2 (0.67) EPHX2
SCHEMBL6158255 0.76 SIGMAR1 (0.53) EPHX2SIGMAR1RAB9A
Hydrochloric Acid SCHEMBL8874234 0.75 SIGMAR1 (0.54) EPHX2SIGMAR1RAB9A
SCHEMBL3079393 0.73 EPHX2 (0.58) EPHX2SIGMAR1
SCHEMBL678775 0.72 CXCR3 (0.51) EPHX2ARKCNH2SIGMAR1
Hydrochloric Acid SCHEMBL6158167 0.71 EPHX2 (0.56) EPHX2SIGMAR1
SCHEMBL6719601 0.70 ALDH1A1 (0.51) EPHX2MEN1KMT2ARAB9A
SCHEMBL26690409 0.70 EPHX2 (0.41) EPHX2ARKCNH2SIGMAR1
SCHEMBL6155754 0.70 SIGMAR1 (0.55) EPHX2SIGMAR1RAB9A

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-5574070-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, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-11-12 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