SCHEMBL14899079

SCHEMBL14899079

N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.78
DPP8 Q6V1X1 1/20 0.60

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
SCHEMBL8296682 1.00 DPP4 (0.78) DPP4DPP8
SCHEMBL14216808 1.00 DPP4 (0.78) DPP4DPP8
SCHEMBL17226208 1.00 DPP4 (0.78) DPP4DPP8
SCHEMBL17226189 0.88 DPP4 (0.73) DPP4
SCHEMBL14216803 0.88 DPP4 (0.73) DPP4
SCHEMBL14899531 0.88 DPP4 (0.73) DPP4
SCHEMBL17598269 0.88 DPP4 (0.73) DPP4
SCHEMBL14899044 0.88 DPP4 (0.73) DPP4
SCHEMBL10026718 0.79 DPP4 (0.61) DPP4
SCHEMBL896241 0.79 DPP4 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559710-B1 Dipeptidyl peptidase IV inhibitors based on cyclopropyl-fused pyrrolidine, process for their preparation and their use BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed