SCHEMBL4080671

SCHEMBL4080671

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCC(C)(C)C(C)C(=O)O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4084189 0.82 HRH3 (0.40) OPRM1OPRL1HPGDRAB9ASMN1; SMN2
SCHEMBL4075032 0.81 HPGD (0.40) OPRM1OPRL1HPGDRAB9ASMN1; SMN2
SCHEMBL4084407 0.81 L3MBTL1 (0.40) OPRM1OPRL1MEN1KMT2AL3MBTL1
SCHEMBL4080673 0.81 HPGD (0.35) OPRM1OPRL1HPGDRAB9ASMN1; SMN2
SCHEMBL206456 0.80 POLB (0.45) HPGDRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL5162372 0.80 RAB9A (0.43) OPRM1OPRL1HPGDRAB9ASMN1; SMN2
SCHEMBL4084293 0.80 HDAC3 (0.42) OPRM1OPRL1HPGDRAB9ASMN1; SMN2
SCHEMBL206402 0.79 ALDH1A1 (0.41) OPRM1OPRL1HPGDRAB9ASMN1; SMN2
SCHEMBL208660 0.79 PLAAT3 (0.46) OPRM1OPRL1RAB9ASMN1; SMN2
SCHEMBL4085357 0.79 L3MBTL1 (0.38) OPRM1OPRL1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed