SCHEMBL4375139

SCHEMBL4375139

COC1C(NC(=O)Oc2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)n(C[C@H]3CCCO3)c2C)C2CCC1(C)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL4374057 0.93 TSHR (0.37) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4376045 0.86 TSHR (0.42) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4383399 0.83 CNR1 (0.41) CNR2TSHRCNR1
SCHEMBL4380363 0.83 CNR1 (0.41) CNR2TSHRCNR1
SCHEMBL4374742 0.82 TSHR (0.42) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4380229 0.80 CNR1 (0.49) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4371354 0.79 CNR2 (0.44) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4541078 0.78 ALDH1A1 (0.39) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4370570 0.78 CNR2 (0.40) CNR2TSHRKDM4EALDH1A1GLA
SCHEMBL4382397 0.77 CNR2 (0.42) CNR2TSHRKDM4EALDH1A1GLA

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-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed