SCHEMBL30452486

SCHEMBL30452486

NCCc1ccc(C(=O)N2Cc3cccnc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.52
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 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
SCHEMBL23828924 1.00 NAMPT (0.52) NAMPTDPP8DPP9
SCHEMBL23840728 0.89 HPGD (0.51) NAMPT
SCHEMBL23828880 0.83 NAMPT (0.52) NAMPT
SCHEMBL31646737 0.80 NAMPT (0.52) NAMPTDPP8DPP9
SCHEMBL23828891 0.78 NAMPT (0.57) NAMPT
SCHEMBL30453424 0.78 NAMPT (0.57) NAMPT
SCHEMBL27923200 0.73 DPP8 (0.57) NAMPTDPP8DPP9
SCHEMBL29992618 0.72 DPP8 (0.55) NAMPTDPP8DPP9
SCHEMBL8203594 0.72 DPP8 (0.55) NAMPTDPP8DPP9
SCHEMBL3438648 0.70 NOTUM (0.61) NAMPTDPP8DPP9

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
CN-111164084-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-23 CN disclosed