SCHEMBL10091513

SCHEMBL10091513

CC1(C(=O)NCc2ccc(C(F)(F)F)c(Nc3nc4cc(C(=O)NC5CCC(C(F)(F)F)CC5)c(OCC(F)F)nc4[nH]3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.44

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
SCHEMBL11985315 1.00 PTGES (0.44) PTGES
SCHEMBL11985314 0.95 PTGES (0.44) PTGES
SCHEMBL11985280 0.93 PTGES (0.43) PTGES
SCHEMBL10091521 0.92 PTGES (0.45) PTGES
SCHEMBL11985142 0.92 PTGES (0.45) PTGES
SCHEMBL11985102 0.92 PTGES (0.49) PTGES
SCHEMBL10091460 0.91 PTGES (0.43) PTGES
SCHEMBL11985169 0.91 PTGES (0.43) PTGES
SCHEMBL10091650 0.91 PTGES (0.43) PTGES
SCHEMBL11985319 0.91 PTGES (0.43) PTGES

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-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed