SCHEMBL14899571

SCHEMBL14899571

C[C@H]1C[C@@H](C#N)N(C(=O)[C@@H](N)C(C)(C)CO)[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.55
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 1/20 0.39
FAP Q12884 1/20 0.37

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
SCHEMBL14216686 1.00 DPP4 (0.55) DPP4DPP8DPP9FAP
SCHEMBL14899028 0.82 DPP4 (0.81) DPP4
SCHEMBL14899610 0.82 DPP4 (0.81) DPP4
SCHEMBL12937403 0.82 DPP4 (0.81) DPP4
SCHEMBL17226168 0.78 DPP4 (0.47) DPP4DPP8DPP9FAP
SCHEMBL14899617 0.78 DPP4 (0.46) DPP4DPP8DPP9FAP
SCHEMBL15492505 0.76 DPP4 (0.43) DPP4FAP
SCHEMBL10289931 0.76 DPP4 (0.69) DPP4
SCHEMBL17598290 0.76 DPP4 (0.43) DPP4FAP
SCHEMBL17690943 0.76 DPP4 (0.69) DPP4

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
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed