SCHEMBL4376045

SCHEMBL4376045

Cc1c(OC(=O)NC2C3CCCCC32)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1C[C@H]1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CNR2 P34972 14/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4374742 0.92 TSHR (0.42) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4380229 0.90 CNR1 (0.49) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4541078 0.88 ALDH1A1 (0.39) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4374057 0.87 TSHR (0.37) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4375139 0.86 CNR2 (0.38) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4371354 0.86 CNR2 (0.44) TSHRCNR2KDM4EALDH1A1GAA
SCHEMBL4379580 0.86 CNR1 (0.51) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4375462 0.86 TSHR (0.39) TSHRCNR2KDM4EALDH1A1GAA
SCHEMBL4382397 0.85 CNR2 (0.42) TSHRCNR2KDM4EALDH1A1GAA
SCHEMBL4374299 0.85 CNR2 (0.42) TSHRCNR2KDM4EALDH1A1GAA

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