SCHEMBL31177321

SCHEMBL31177321

C[C@@H]1Cn2c(nnc2C(F)(F)F)CN1.C[C@@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
PARP1 P09874 4/20 0.40
PARP2 Q9UGN5 4/20 0.40
PARP3 Q9Y6F1 4/20 0.40
CYP8B1 Q9UNU6 4/20 0.37
TNKS O95271 1/20 0.36
PARP6 Q2NL67 1/20 0.36
P2RX7 Q99572 4/20 0.34
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL5653362 0.90 DPP4 (0.49) DPP4DPP9DPP7DPP8PARP1
SCHEMBL31177343 0.78 DPP4 (0.33) DPP4DPP9DPP7DPP8PARP1
SCHEMBL20099681 0.74 P2RX7 (0.36) DPP4DPP9DPP7DPP8P2RX7
SCHEMBL21253287 0.74 P2RX7 (0.36) DPP4DPP9DPP7DPP8P2RX7
SCHEMBL17596463 0.72 P2RX7 (0.52) P2RX7GPR119
SCHEMBL17596464 0.72 P2RX7 (0.52) P2RX7GPR119
SCHEMBL17596276 0.69 P2RX7 (0.59) P2RX7
SCHEMBL17596277 0.69 P2RX7 (0.59) P2RX7
SCHEMBL5648690 0.69 P2RX7 (0.38) DPP4DPP9DPP7DPP8CYP8B1
SCHEMBL3134930 0.68 CYP8B1 (0.54) DPP4DPP9DPP7DPP8CYP8B1

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-2024218503-A1 SOLID FORMS OF AN ENZYME INHIBITOR AND SALTS THEREOF KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-10-24 WO disclosed