SCHEMBL4073100

SCHEMBL4073100

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N(C)OC(=O)CCc3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
KCNA3 P22001 1/20 0.39
EPHX2 P34913 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL206736 0.84 HPGD (0.48) SSTR1SSTR4OPRM1OPRL1EPHX2
SCHEMBL206157 0.84 NPC1 (0.46) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL207003 0.82 KMT2A (0.39) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL4075132 0.82 SSTR4 (0.43) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL4052851 0.82 KMT2A (0.48) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL204623 0.81 KMT2A (0.48) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL206824 0.81 L3MBTL1 (0.47) SSTR1SSTR4KMT2AMEN1
SCHEMBL4084112 0.81 HPGD (0.45) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL206665 0.81 SSTR4 (0.45) SSTR1SSTR4OPRM1OPRL1KMT2A
SCHEMBL16143762 0.80 OPRM1 (0.41) SSTR1SSTR4OPRM1OPRL1

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