SCHEMBL14922003

SCHEMBL14922003

O[C@@H](CCN1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.56
▸ DPP8 Q6V1X1 8/20 0.56
▸ DPP9 Q86TI2 4/20 0.56
▸ DPP7 Q9UHL4 4/20 0.56
▸ ACE P12821 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ FAP Q12884 1/20 0.56

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
SCHEMBL1289271 1.00 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL3697380 0.87 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL15206677 0.87 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL28030532 0.81 DPP4 (0.60) DPP4DPP8DPP9DPP7ACE
SCHEMBL3791188 0.79 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
SCHEMBL16433580 0.79 DPP4 (0.55) DPP4DPP8DPP9DPP7ACE
SCHEMBL1288978 0.79 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
SCHEMBL1289158 0.79 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
SCHEMBL29644108 0.79 DPP4 (0.54) DPP4DPP8DPP9DPP7ACE
SCHEMBL3254233 0.78 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE

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-2013065066-A1 PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE CADILA HEALTHCARE LIMITED (IN) 2013-05-10 — — WO disclosed
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