SCHEMBL9939852

SCHEMBL9939852

Cn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)c(F)cc2Cl)nc2cc(Cl)c(N3CCC(C)(C)CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.46

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
SCHEMBL9940027 0.91 PTGES (0.49) PTGES
SCHEMBL9939814 0.88 PTGES (0.59) PTGES
SCHEMBL9939909 0.85 PTGES (0.57) PTGES
SCHEMBL9939844 0.82 PTGES (0.52) PTGES
SCHEMBL9939906 0.82 PTGES (0.59) PTGES
SCHEMBL9939810 0.81 PTGES (0.59) PTGES
SCHEMBL9939976 0.80 PTGES (0.58) PTGES
SCHEMBL9939892 0.79 PTGES (0.59) PTGES
SCHEMBL9939819 0.79 PTGES (0.59) PTGES
SCHEMBL9939983 0.79 PTGES (0.54) 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-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed