SCHEMBL4081016

SCHEMBL4081016

CC(NC(=O)CCC(=O)NC1CCC(Cc2cccc(Cl)c2)(N(C)C)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
SIGMAR1 Q99720 4/20 0.43
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MME P08473 3/20 0.36
MMEL1 Q495T6 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
SCHEMBL206648 0.89 ALDH1A1 (0.42) EPHX2THRBHPGDSIGMAR1ALDH1A1
SCHEMBL4079453 0.88 LMNA (0.43) HPGDSIGMAR1OPRM1OPRL1SSTR1
SCHEMBL205753 0.88 SIGMAR1 (0.45) EPHX2THRBHPGDSIGMAR1OPRM1
SCHEMBL206650 0.87 KMT2A (0.44) EPHX2THRBHPGDSIGMAR1ALDH1A1
SCHEMBL206966 0.86 EPHX2 (0.62) EPHX2THRBHPGDSIGMAR1GAA
SCHEMBL206577 0.85 SIGMAR1 (0.43) EPHX2THRBHPGDSIGMAR1OPRM1
SCHEMBL206443 0.85 EPHX2 (0.42) EPHX2THRBHPGDSIGMAR1ALDH1A1
SCHEMBL207872 0.85 SIGMAR1 (0.46) EPHX2THRBHPGDSIGMAR1OPRM1
SCHEMBL206084 0.83 EPHX2 (0.47) EPHX2THRBHPGDSIGMAR1OPRM1
SCHEMBL205975 0.83 SIGMAR1 (0.41) EPHX2THRBHPGDSIGMAR1OPRM1

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