SCHEMBL9947004

SCHEMBL9947004

CNc1cc(N2CCC3(CC3)C2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.48

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
SCHEMBL9946579 1.00 PTGES (0.48) PTGES
SCHEMBL9946615 0.94 PTGES (0.43) PTGES
SCHEMBL9898477 0.92 PTGES (0.48) PTGES
SCHEMBL9898474 0.92 PTGES (0.48) PTGES
SCHEMBL9946860 0.91 PTGES (0.48) PTGES
SCHEMBL9946645 0.90 PTGES (0.48) PTGES
SCHEMBL9944902 0.88 RAB9A (0.39) PTGES
SCHEMBL9946586 0.88 PTGES (0.48) PTGES
SCHEMBL9946711 0.88 PTGES (0.49) PTGES
SCHEMBL9946660 0.87 PTGES (0.45) 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-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed