SCHEMBL4689785

SCHEMBL4689785

CC(c1ccc(F)cc1)C(CNC(=O)C(C)(C)Oc1ccncc1C(F)(F)F)c1cncc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.37
SSTR4 P31391 2/20 0.35
CNR2 P34972 7/20 0.34
ALDH1A1 P00352 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
SCHEMBL4694633 0.84 SSTR4 (0.41) CNR1SSTR4CNR2
SCHEMBL3371801 0.83 CNR1 (0.56) CNR1CNR2
SCHEMBL3370475 0.80 CNR1 (0.44) CNR1CNR2
SCHEMBL4689257 0.78 CNR1 (0.39) CNR1CNR2ALDH1A1
SCHEMBL4688390 0.78 CNR1 (0.36) CNR1CNR2
SCHEMBL1571723 0.77 CNR1 (0.55) CNR1CNR2
SCHEMBL4688592 0.77 CNR1 (0.40) CNR1CNR2
SCHEMBL3371182 0.75 CNR1 (0.40) CNR1SSTR4CNR2
SCHEMBL4688372 0.75 CNR1 (0.54) CNR1CNR2
SCHEMBL4692291 0.74 CNR1 (0.53) CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed