SCHEMBL3254241

SCHEMBL3254241

N[C@H](Cc1cc(F)c(F)cc1F)C(=O)CN1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.64
▸ DPP8 Q6V1X1 11/20 0.64
▸ DPP9 Q86TI2 5/20 0.64
▸ DPP7 Q9UHL4 5/20 0.64
▸ ACE P12821 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ FAP Q12884 1/20 0.64

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
SCHEMBL3254233 1.00 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
SCHEMBL28030532 0.89 DPP4 (0.60) DPP4DPP8DPP9DPP7ACE
SCHEMBL14550105 0.85 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
SCHEMBL3697380 0.81 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL15206677 0.81 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL14634817 0.79 DPP4 (0.68) DPP4DPP8DPP9DPP7ACE
SCHEMBL2477394 0.79 DPP4 (0.68) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL1842315 0.78 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL1842319 0.78 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
SCHEMBL1289271 0.78 DPP4 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 — — EP claimed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 — — EP claimed
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