SCHEMBL29649992

SCHEMBL29649992

CC1NCCn2c1nnc2C(F)(F)F.CC1c2nnc(C(F)(F)F)n2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.42
DPP8 Q6V1X1 3/20 0.42
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
TACR3 P29371 5/20 0.34
P2RX7 Q99572 3/20 0.34
DPP7 Q9UHL4 2/20 0.34
KCNH2 Q12809 1/20 0.34
TACR2 P21452 3/20 0.33
TACR1 P25103 2/20 0.33
CYP8B1 Q9UNU6 1/20 0.33

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
SCHEMBL5935850 0.90 DPP4 (0.48) DPP4DPP8PARP1PARP2PARP3
SCHEMBL29649972 0.83 CYP8B1 (0.48) DPP4DPP8P2RX7CYP8B1
SCHEMBL29650119 0.80 CYP8B1 (0.49) DPP4DPP8P2RX7DPP7CYP8B1
SCHEMBL5231477 0.79 TACR3 (0.46) DPP4DPP8PARP1PARP2PARP3
SCHEMBL3868870 0.73 TACR3 (0.39) DPP4DPP8PARP1PARP2PARP3
SCHEMBL5648690 0.72 P2RX7 (0.38) DPP4DPP8P2RX7DPP7CYP8B1
SCHEMBL5935844 0.71 DPP4 (0.49) DPP4DPP8PARP1P2RX7TACR1
SCHEMBL16790052 0.70 DPP4 (0.32) DPP4DPP8DPP7
SCHEMBL3842976 0.68 DPP4 (0.47) DPP4DPP8PARP1PARP2PARP3
SCHEMBL16789995 0.68 DPP4 (0.41) DPP4DPP8PARP1TACR1

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-4255900-A2 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2023-10-11 EP disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed