SCHEMBL10170194

SCHEMBL10170194

Cn1c(Nc2c(Cl)ccc(CNC(=O)C3(N)CC3)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)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
SCHEMBL10169890 0.93 PTGES (0.80) PTGES
SCHEMBL10169898 0.93 PTGES (0.80) PTGES
SCHEMBL10170947 0.91 PTGES (0.79) PTGES
SCHEMBL11993951 0.91 PTGES (0.76) PTGES
SCHEMBL10170188 0.90 PTGES (0.77) PTGES
SCHEMBL10169899 0.90 PTGES (0.77) PTGES
SCHEMBL10170959 0.90 PTGES (0.86) PTGES
SCHEMBL10170211 0.90 PTGES (0.77) PTGES
SCHEMBL10170197 0.89 PTGES (0.82) PTGES
SCHEMBL10169893 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