SCHEMBL2557909

SCHEMBL2557909

CC12CC3CC(C)(C1)CC(N1C(=O)c4ccccc4C1=O)(C3)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.56
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
TSHR P16473 2/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 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
SCHEMBL3826438 0.78 EPHX2 (0.44) EPHX2OPRM1TSHRCYP1A2ALDH1A1
SCHEMBL4751174 0.77 EPHX2 (0.41) EPHX2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL19014686 0.76 EPHX2 (0.38) EPHX2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL22239400 0.75 ALDH1A1 (0.40) OPRK1OPRM1OGFRL1TSHRCYP1A2
SCHEMBL30685188 0.72 OGFRL1 (0.41) OGFRL1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL27354994 0.72 OGFRL1 (0.41) OGFRL1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7982440 0.70 ALDH1A1 (0.36) EPHX2OPRM1TSHRCYP1A2CYP2C19
SCHEMBL19385829 0.68 KMT2A (0.38) OPRM1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL17033019 0.67 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL10881713 0.67 CYP1A2 (0.40) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007351-A1 PROCESS FOR THE PREPARATION OF MEMANTINE AND ITS SALTS AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2010-01-21 WO claimed
EP-2555616-A1 PROCESS FOR THE PREPARATION OF MEMANTINE HYDROCHLORIDE Hetero Research Foundation (IN) 2013-02-13 EP disclosed
WO-2011125062-A1 PROCESS FOR THE PREPARATION OF MEMANTINE HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2011-10-13 WO disclosed
WO-2010007351-A1 PROCESS FOR THE PREPARATION OF MEMANTINE AND ITS SALTS AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2010-01-21 WO disclosed
WO-2010007351-A1 PROCESS FOR THE PREPARATION OF MEMANTINE AND ITS SALTS AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2010-01-21 WO disclosed
WO-2010007351-A1 PROCESS FOR THE PREPARATION OF MEMANTINE AND ITS SALTS AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2010-01-21 WO disclosed