SCHEMBL4375460

SCHEMBL4375460

Cc1c(OC(=O)NCC(O)C2CC2)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1C[C@H]1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CNR2 P34972 14/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4382724 0.90 TSHR (0.39) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4380548 0.89 TSHR (0.38) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4369418 0.89 TSHR (0.38) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4374633 0.87 CNR2 (0.41) TSHRCNR2
SCHEMBL4371357 0.87 KDM4E (0.39) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4371354 0.87 CNR2 (0.44) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4372092 0.86 ALDH1A1 (0.39) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4382397 0.85 CNR2 (0.42) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4374299 0.85 CNR2 (0.42) TSHRCNR2ALDH1A1KDM4EGAA
SCHEMBL4370570 0.85 CNR2 (0.40) TSHRCNR2ALDH1A1KDM4EGAA

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