SCHEMBL30989928

SCHEMBL30989928

COc1ncc(F)cc1C(=O)N(C)[C@H](C)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 3/20 0.44
▸ GPR6 P46095 4/20 0.41
▸ TRPM8 Q7Z2W7 3/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ RIPK1 Q13546 2/20 0.34

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
SCHEMBL30990011 1.00 PIK3C3 (0.44) PIK3C3GPR6TRPM8CES2CES1
SCHEMBL30989809 0.89 PIK3C3 (0.39) PIK3C3GPR6SCN9AGPBAR1PTGER4
SCHEMBL30989919 0.89 PIK3C3 (0.38) PIK3C3GPR6CES2CES1GPBAR1
SCHEMBL30989878 0.89 PIK3C3 (0.38) PIK3C3GPR6CES2CES1GPBAR1
SCHEMBL30989899 0.87 PIK3C3 (0.39) PIK3C3GPR6CES2CES1SCN9A
SCHEMBL30989854 0.86 PIK3C3 (0.37) PIK3C3GPR6GPBAR1RIPK1
SCHEMBL30989737 0.86 PIK3C3 (0.37) PIK3C3GPR6GPBAR1RIPK1
SCHEMBL30989840 0.84 PIK3C3 (0.37) PIK3C3GPR6GPBAR1RIPK1
SCHEMBL30989946 0.84 PIK3C3 (0.37) PIK3C3GPR6GPBAR1RIPK1
SCHEMBL30990044 0.82 MAPK1 (0.41) PIK3C3GPR6GPBAR1PTGER4MAP3K5

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-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 — — EP disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO disclosed
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