SCHEMBL4786221

SCHEMBL4786221

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.56
STS P08842 4/20 0.54
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRM5 P41594 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL12713102 0.89 STS (0.53) CNR1STSMAPTKDM4ETHRB
SCHEMBL17398495 0.89 ESR2 (0.52) CNR1STSMAPTKDM4ETHRB
SCHEMBL14401199 0.89 STS (0.53) CNR1STSMAPTKDM4ETHRB
SCHEMBL23291499 0.88 STS (0.50) CNR1STSMAPTKDM4ETHRB
SCHEMBL24629830 0.88 STS (0.50) CNR1STSMAPTKDM4ETHRB
SCHEMBL29535159 0.88 STS (0.50) CNR1STSMAPTKDM4ETHRB
SCHEMBL23535949 0.88 GPR119 (0.56) CNR1STSMAPTKDM4ETHRB
SCHEMBL4334254 0.87 MAPT (0.56) CNR1STSMAPTKDM4ETHRB
SCHEMBL8223129 0.86 MEN1 (0.60) STSMAPTKDM4ETHRBMEN1
SCHEMBL12713099 0.86 MEN1 (0.52) CNR1STSMAPTKDM4ETHRB

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-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed