SCHEMBL29649972

SCHEMBL29649972

CC(C)(C)OC(=O)N1CCn2c(nnc2C(F)(F)F)C1.CC1NCCn2c1nnc2C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 13/20 0.48
DPP4 P27487 5/20 0.39
DPP8 Q6V1X1 2/20 0.38
FAP Q12884 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL3134930 0.85 CYP8B1 (0.54) CYP8B1DPP4DPP8FAPP2RX7
SCHEMBL29650119 0.84 CYP8B1 (0.49) CYP8B1DPP4DPP8FAPP2RX7
SCHEMBL29649992 0.83 DPP4 (0.42) CYP8B1DPP4DPP8P2RX7
SCHEMBL5231477 0.77 TACR3 (0.46) DPP4DPP8P2RX7
SCHEMBL19877142 0.76 HPGD (0.54) CYP8B1
SCHEMBL22952373 0.76 P2RX7 (0.48) CYP8B1DPP4P2RX7
SCHEMBL23967596 0.75 CYP8B1 (0.65) CYP8B1
SCHEMBL19877063 0.75 CYP8B1 (0.65) CYP8B1
SCHEMBL19878066 0.75 CYP8B1 (0.65) CYP8B1
SCHEMBL19877064 0.75 CYP8B1 (0.65) CYP8B1

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