SCHEMBL30989859

SCHEMBL30989859

COc1ncc(F)cc1C(=O)N(C)C1COc2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 5/20 0.39
▸ PIK3C3 Q8NEB9 3/20 0.38
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KDM4C Q9H3R0 3/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL30989838 1.00 GPR6 (0.39) GPR6PIK3C3HCRTR1HCRTR2KDM4C
SCHEMBL30989805 0.92 GPR6 (0.39) GPR6PIK3C3HCRTR2GPBAR1CCNT1
SCHEMBL30989950 0.91 GPR6 (0.37) GPR6PIK3C3HCRTR1HCRTR2KDM4C
SCHEMBL30989774 0.91 GPR6 (0.37) GPR6PIK3C3HCRTR1HCRTR2KDM4C
SCHEMBL30989824 0.89 GPR6 (0.34) GPR6HCRTR1HCRTR2KDM4CNTRK1
SCHEMBL30989905 0.81 KDM4C (0.40) GPR6PIK3C3KDM4CGPBAR1NTRK1
SCHEMBL30990026 0.81 MAPK1 (0.41) GPR6PIK3C3KDM4CGPBAR1
SCHEMBL30989831 0.81 MAPK1 (0.41) GPR6PIK3C3KDM4CGPBAR1
SCHEMBL30989839 0.80 TRPM8 (0.37) GPR6HCRTR1HCRTR2KDM4C
SCHEMBL30989860 0.79 NTRK1 (0.39) GPR6NTRK1

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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