SCHEMBL10170197

SCHEMBL10170197

Cn1c(Nc2c(Cl)ccc(CNC(=O)CN)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCC(F)F)cc21

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.82

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
SCHEMBL10169882 0.94 PTGES (0.85) PTGES
SCHEMBL10170196 0.94 PTGES (0.83) PTGES
SCHEMBL10170207 0.93 PTGES (0.81) PTGES
SCHEMBL10169908 0.93 PTGES (0.81) PTGES
SCHEMBL10170959 0.92 PTGES (0.86) PTGES
SCHEMBL11970129 0.92 PTGES (0.81) PTGES
SCHEMBL10170183 0.92 PTGES (0.83) PTGES
SCHEMBL10169893 0.92 PTGES (0.85) PTGES
SCHEMBL10170190 0.92 PTGES (0.85) PTGES
SCHEMBL11993956 0.91 PTGES (0.80) 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