SCHEMBL4079658

SCHEMBL4079658

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.43
SSTR1 P30872 1/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL206402 0.88 ALDH1A1 (0.41) KMT2AMEN1OPRM1OPRL1SMN1; SMN2
SCHEMBL4081082 0.86 L3MBTL1 (0.41) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL206824 0.86 L3MBTL1 (0.47) SSTR4SSTR1KMT2AMEN1SMN1; SMN2
SCHEMBL207190 0.85 ALDH1A1 (0.43) SSTR4SSTR1KMT2AMEN1KDM4E
SCHEMBL206665 0.84 SSTR4 (0.45) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL5157976 0.84 SSTR4 (0.45) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL206981 0.84 DRD4 (0.41) SSTR4SSTR1KMT2AMEN1NR1H4
SCHEMBL205964 0.84 METAP2 (0.43) SSTR4SSTR1
SCHEMBL4052851 0.83 KMT2A (0.48) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL207763 0.82 CYP2D6 (0.38) SSTR4SSTR1KMT2AMEN1OPRM1

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