SCHEMBL14033489

SCHEMBL14033489

CC(C)[C@H]1CN(C(c2ccccc2)c2ccc(C#N)cc2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.61
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A9 P48067 1/20 0.41
SCN9A Q15858 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13307944 0.89 MEN1 (0.53) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL13304693 0.85 KCNH2 (0.52) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL14034016 0.79 MEN1 (0.49) OPRD1OPRM1MEN1KMT2ASLC6A9
SCHEMBL14034022 0.79 CYP2D6 (0.55) OPRD1OPRM1MEN1KMT2ASLC6A9
SCHEMBL14033816 0.79 CYP2D6 (0.55) OPRD1OPRM1MEN1KMT2ASLC6A9
SCHEMBL14033487 0.79 HRH3 (0.44) OPRD1OPRM1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL6797327 0.76 OPRD1 (0.97) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL4146000 0.73 MEN1 (0.58) OPRD1OPRM1OPRL1MEN1KMT2A
SCHEMBL2537196 0.73 MEN1 (0.58) OPRD1OPRM1OPRL1MEN1KMT2A
SCHEMBL2315253 0.73 MEN1 (0.58) OPRD1OPRM1OPRL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed