SCHEMBL676387

SCHEMBL676387

NCc1ccc(Cl)c(Nc2nc3cc(C(N)=O)c(OCC(F)F)cc3n2C[C@H]2CC[C@H](C(F)(F)F)CC2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.59

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
SCHEMBL674909 0.91 PTGES (0.72) PTGES
SCHEMBL671455 0.82 PTGES (0.65) PTGES
SCHEMBL11970151 0.82 PTGES (0.83) PTGES
SCHEMBL11970150 0.82 PTGES (0.83) PTGES
SCHEMBL674936 0.78 PTGES (0.69) PTGES
SCHEMBL671678 0.75 PTGES (0.76) PTGES
SCHEMBL671394 0.75 PTGES (0.83) PTGES
Vipoglanstat SCHEMBL11970119 0.74 PTGES (1.00) PTGES
Vipoglanstat SCHEMBL10169877 0.74 PTGES (1.00) PTGES
SCHEMBL10170142 0.74 PTGES (0.71) 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-2606036-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed