SCHEMBL10170874

SCHEMBL10170874

Cn1c(Nc2c(Cl)ccc(CNC(=O)C3(N)CC3)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.79

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
SCHEMBL10170952 0.92 PTGES (0.80) PTGES
SCHEMBL10170913 0.92 PTGES (0.80) PTGES
SCHEMBL10170961 0.92 PTGES (0.79) PTGES
SCHEMBL10170915 0.91 PTGES (0.77) PTGES
SCHEMBL10170954 0.91 PTGES (0.77) PTGES
SCHEMBL11993946 0.90 PTGES (0.76) PTGES
SCHEMBL10170855 0.89 PTGES (0.86) PTGES
SCHEMBL10170956 0.89 PTGES (0.88) PTGES
SCHEMBL10170859 0.89 PTGES (0.83) PTGES
SCHEMBL10170873 0.89 PTGES (0.85) 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-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed