SCHEMBL9905599

SCHEMBL9905599

CC(C)(C)OC(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(N)=O)c([C@@]45CNC[C@H]4C5)cc3n2CC2CCC(C(F)(F)F)CC2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.51

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
SCHEMBL9899511 0.85 PTGES (0.69) PTGES
SCHEMBL9899512 0.85 PTGES (0.69) PTGES
SCHEMBL674936 0.78 PTGES (0.69) PTGES
SCHEMBL9898553 0.75 PTGES (0.59) PTGES
SCHEMBL674909 0.75 PTGES (0.72) PTGES
SCHEMBL9898555 0.75 PTGES (0.59) PTGES
SCHEMBL9898556 0.75 PTGES (0.59) PTGES
SCHEMBL9905589 0.72 PTGES (0.62) PTGES
SCHEMBL676387 0.71 PTGES (0.59) PTGES
SCHEMBL9899291 0.70 PTGES (0.62) 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