SCHEMBL4079453

SCHEMBL4079453

CC(NC(=O)CCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.41
AVPR1A P37288 5/20 0.39
HRH3 Q9Y5N1 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.38
OXTR P30559 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 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
SCHEMBL4084189 0.91 HRH3 (0.40) HPGDHRH3OPRM1OPRL1
SCHEMBL4081016 0.88 EPHX2 (0.45) HPGDOPRM1OPRL1SIGMAR1GAA
SCHEMBL207560 0.88 POLB (0.41) LMNAPOLBHPGDAVPR1AGAA
SCHEMBL206987 0.86 POLB (0.56) LMNAPOLBHPGDOPRM1OPRL1
SCHEMBL209932 0.85 AVPR1A (0.44) LMNAAVPR1AOXTR
SCHEMBL206809 0.85 KMT2A (0.46) LMNAOPRM1OPRL1SIGMAR1GAA
SCHEMBL208694 0.84 AVPR1A (0.41) LMNAPOLBHPGDAVPR1AGAA
SCHEMBL205873 0.84 UTS2R (0.43) LMNAPOLBHPGDOPRM1OPRL1
SCHEMBL4056032 0.80 CCR2 (0.46) LMNAOPRM1OPRL1SIGMAR1MAPT
SCHEMBL4076358 0.80 AVPR1A (0.43) AVPR1AOXTR

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