SCHEMBL28818558

SCHEMBL28818558

Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CN(C(=O)O)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.48
▸ CREBBP Q92793 3/20 0.48
▸ BRD4 O60885 2/20 0.48
▸ SPTLC1 O15269 1/20 0.47
▸ P2RX7 Q99572 4/20 0.46
▸ TRPM2 O94759 1/20 0.42
▸ SCN9A Q15858 3/20 0.40
▸ SCN5A Q14524 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 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
SCHEMBL29844211 0.85 CTSS (0.46) KCNK3CREBBPBRD4SPTLC1P2RX7
SCHEMBL28739860 0.84 P2RX7 (0.55) CREBBPSPTLC1P2RX7
SCHEMBL30044769 0.81 SPTLC1 (0.49) KCNK3CREBBPBRD4SPTLC1P2RX7
SCHEMBL28818532 0.80 P2RX7 (0.46) KCNK3CREBBPBRD4P2RX7SCN9A
SCHEMBL28818513 0.79 KCNK3 (0.61) KCNK3
SCHEMBL29844019 0.79 KCNK3 (0.40) KCNK3CREBBPBRD4SPTLC1P2RX7
SCHEMBL30044875 0.78 P2RX7 (0.40) KCNK3CREBBPBRD4SPTLC1P2RX7
SCHEMBL4830137 0.74 KCNK3 (0.57) KCNK3CREBBPBRD4SPTLC1TRPM2
SCHEMBL28818541 0.73 MAPK1 (0.49) CREBBPBRD4P2RX7
SCHEMBL19358387 0.72 P2RX7 (0.48) CREBBPSPTLC1P2RX7

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-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN disclosed
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