SCHEMBL30989798

SCHEMBL30989798

COc1ncc(F)cc1C(=O)N(C)C1CCc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.42
▸ GPR6 P46095 5/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ PIK3C3 Q8NEB9 3/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SPR P35270 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ SLC8A1 P32418 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL30990055 1.00 PIN1 (0.42) PIN1GPR6TRPM8PIK3C3ACHE
SCHEMBL30989826 0.91 GPR6 (0.39) PIN1GPR6TRPM8PIK3C3ACHE
SCHEMBL30989803 0.91 PIN1 (0.48) PIN1GPR6TRPM8SPR
SCHEMBL30989947 0.91 PIN1 (0.48) PIN1GPR6TRPM8SPR
SCHEMBL30989805 0.80 GPR6 (0.39) GPR6PIK3C3SLC8A1JAK2NTRK1
SCHEMBL30989842 0.78 SPR (0.47) PIN1TRPM8SPRMGLL
SCHEMBL30989859 0.78 GPR6 (0.39) GPR6PIK3C3NTRK1KDM4C
SCHEMBL30989838 0.78 GPR6 (0.39) GPR6PIK3C3NTRK1KDM4C
SCHEMBL30989894 0.78 SPR (0.47) PIN1TRPM8SPRMGLL
SCHEMBL30990026 0.78 MAPK1 (0.41) PIN1GPR6PIK3C3KDM4C

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 4 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 claimed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO claimed
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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