SCHEMBL9947056

SCHEMBL9947056

CCc1cc(N2CCC(F)CC2)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.49

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
SCHEMBL9899165 0.90 PTGES (0.47) PTGES
SCHEMBL9899166 0.90 PTGES (0.47) PTGES
SCHEMBL9946574 0.87 PTGES (0.46) PTGES
SCHEMBL9946795 0.81 PTGES (0.46) PTGES
SCHEMBL9946743 0.81 PTGES (0.46) PTGES
SCHEMBL9899139 0.81 POLB (0.44) PTGES
SCHEMBL9899136 0.81 POLB (0.44) PTGES
SCHEMBL9946752 0.80 PTGES (0.46) PTGES
SCHEMBL9899272 0.80 PTGES (0.45) PTGES
SCHEMBL9899274 0.80 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