SCHEMBL7982440

SCHEMBL7982440

CC12CCC(C1)CC1(C)CC1(N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 4/20 0.36
EPHX2 P34913 1/20 0.34
TSHR P16473 5/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 3/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.31
OPRM1 P35372 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL2557909 0.70 EPHX2 (0.56) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL17033019 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL22239400 0.67 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL19385829 0.64 KMT2A (0.38) ALDH1A1TSHRCYP2C19CHRM2OPRM1
SCHEMBL10881713 0.64 CYP1A2 (0.40) ALDH1A1TSHRHTR2AHTR2CHTR2B
SCHEMBL15977374 0.62 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRCYP2C19
SCHEMBL4751174 0.61 EPHX2 (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDEPHX2
SCHEMBL11035277 0.61 TSHR (0.43) ALDH1A1TSHRCYP2C19CHRM2OPRM1
SCHEMBL24343596 0.60 CASP3 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL3826438 0.60 EPHX2 (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD

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
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