SCHEMBL9947055

SCHEMBL9947055

CCn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)O)c(N3CCC(C(F)(F)F)CC3)cc21

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.74

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
SCHEMBL16300079 0.92 PTGES (0.84) PTGES
SCHEMBL9899096 0.92 PTGES (0.84) PTGES
SCHEMBL9947057 0.92 PTGES (0.70) PTGES
SCHEMBL9899164 0.88 PTGES (0.83) PTGES
SCHEMBL16300077 0.85 PTGES (0.79) PTGES
SCHEMBL9946731 0.85 PTGES (1.00) PTGES
SCHEMBL9947022 0.85 PTGES (1.00) PTGES
SCHEMBL9899235 0.85 PTGES (0.82) PTGES
SCHEMBL9899155 0.84 PTGES (0.79) PTGES
SCHEMBL9939689 0.84 PTGES (0.81) 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