SCHEMBL5157976

SCHEMBL5157976

C[N]C(=O)CCC(=O)NC1CCC(Cc2cccc(C)c2)(N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.45
SSTR1 P30872 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL206665 0.86 SSTR4 (0.45) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL4052851 0.85 KMT2A (0.48) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL4079658 0.84 SSTR4 (0.43) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL207581 0.84 POLB (0.46) SSTR4SSTR1KMT2ATHRBHPGD
SCHEMBL206157 0.83 NPC1 (0.46) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL206736 0.83 HPGD (0.48) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL4075132 0.83 SSTR4 (0.43) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL2987319 0.83 MEN1 (0.47) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL5161290 0.82 SSTR4 (0.42) SSTR4SSTR1KMT2AMEN1OPRM1
SCHEMBL206288 0.82 ALDH1A1 (0.50) KMT2AMEN1NPC1SMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007536323-A 2007-12-13 JP claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO disclosed