SCHEMBL11047241

SCHEMBL11047241

N#CC(C#N)Cc1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
RIPK1 Q13546 1/20 0.31

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
SCHEMBL1442837 0.74 DPP4 (0.46) DPP4DPP8DPP9DPP7
SCHEMBL1443585 0.73 TAAR1 (0.43) DPP4FAPDPP8DPP9
SCHEMBL29942400 0.72 HPGD (0.33) DPP4FAPDPP8DPP9DPP7
SCHEMBL8349146 0.72 CTSS (0.42) DPP4FAPDPP8DPP9DPP7
SCHEMBL332998 0.72 HPGD (0.33) DPP4FAPDPP8DPP9DPP7
SCHEMBL4657227 0.72 PYCR1 (0.43) DPP4
SCHEMBL9579981 0.71 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
Bromide SCHEMBL28974690 0.69 DPP4 (0.37) DPP4FAPDPP8DPP9DPP7
SCHEMBL455108 0.69 SLC6A2 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL2974401 0.69 RIPK1 (0.36) DPP4FAPDPP8DPP9DPP7

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
EP-0119701-A1 Grignard syntheses IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-09-26 EP disclosed