SCHEMBL671394

SCHEMBL671394

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

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.83

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
SCHEMBL671678 0.95 PTGES (0.76) PTGES
SCHEMBL671406 0.93 PTGES (0.84) PTGES
SCHEMBL669959 0.91 PTGES (0.81) PTGES
SCHEMBL10170182 0.91 PTGES (1.00) PTGES
SCHEMBL10170939 0.91 PTGES (1.00) PTGES
SCHEMBL10169962 0.90 PTGES (0.82) PTGES
SCHEMBL670964 0.90 PTGES (0.75) PTGES
SCHEMBL10170203 0.89 PTGES (1.00) PTGES
SCHEMBL671455 0.89 PTGES (0.65) PTGES
SCHEMBL10170937 0.88 PTGES (1.00) 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