SCHEMBL9905666

SCHEMBL9905666

CC(C)(F)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(N)=O)c(N4CCC(C(F)(F)F)CC4)cc3n2Cc2ccc(F)c(Cl)c2)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.70

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
SCHEMBL9900469 0.83 PTGES (1.00) PTGES
SCHEMBL9905639 0.82 PTGES (0.70) PTGES
SCHEMBL9899164 0.82 PTGES (0.83) PTGES
SCHEMBL9947055 0.80 PTGES (0.74) PTGES
SCHEMBL16300079 0.80 PTGES (0.84) PTGES
SCHEMBL9946696 0.79 PTGES (1.00) PTGES
SCHEMBL9946851 0.79 PTGES (1.00) PTGES
SCHEMBL9900331 0.79 PTGES (1.00) PTGES
SCHEMBL9946914 0.78 PTGES (1.00) PTGES
SCHEMBL9946748 0.78 PTGES (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649051-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) 2013-10-16 EP disclosed
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