SCHEMBL15978619

SCHEMBL15978619

Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H]2C[C@H]1c1nnc(C(F)(F)F)n12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
DPP8 Q6V1X1 12/20 0.53
DPP9 Q86TI2 8/20 0.53
FAP Q12884 1/20 0.53
DPP7 Q9UHL4 8/20 0.48

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
SCHEMBL15978618 0.90 DPP4 (0.57) DPP4DPP8DPP9DPP7
SCHEMBL15978611 0.87 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL15978617 0.85 DPP4 (0.64) DPP4DPP8DPP9DPP7
SCHEMBL15978661 0.85 DPP4 (0.64) DPP4DPP8DPP9DPP7
SCHEMBL15978603 0.84 DPP4 (0.70) DPP4DPP8DPP9DPP7
SCHEMBL15978615 0.84 DPP4 (0.70) DPP4DPP8DPP9DPP7
SCHEMBL15978634 0.83 DPP4 (0.49) DPP4DPP8DPP9DPP7
SCHEMBL15978605 0.81 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL15978608 0.81 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL15978614 0.79 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7

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-2014127747-A1 DPP-IV-INHIBITING COMPOUNDS AND INTERMEDIATES THEREOF 成都先导药物开发有限公司 (CN) 2014-08-28 WO disclosed