SCHEMBL671400

SCHEMBL671400

Cn1c(Nc2c(Cl)ccc(CNC(=O)N3CC(F)(F)C3)c2Cl)nc2cc(C(N)=O)c(OCC(F)F)cc21

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.74

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
SCHEMBL20718626 0.87 PTGES (0.87) PTGES
SCHEMBL671678 0.86 PTGES (0.76) PTGES
SCHEMBL671394 0.86 PTGES (0.83) PTGES
SCHEMBL671455 0.86 PTGES (0.65) PTGES
SCHEMBL11970137 0.85 PTGES (1.00) PTGES
SCHEMBL10169998 0.85 PTGES (1.00) PTGES
SCHEMBL669959 0.85 PTGES (0.81) PTGES
SCHEMBL20718144 0.82 PTGES (0.88) PTGES
SCHEMBL11993929 0.82 PTGES (0.86) PTGES
SCHEMBL16152518 0.81 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