SCHEMBL30990026

SCHEMBL30990026

COc1ncc(F)cc1C(=O)N(C)[C@@H]1CCOc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.41
▸ GPR6 P46095 1/20 0.37
▸ PIK3C3 Q8NEB9 3/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ KDM4C Q9H3R0 3/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL30989831 1.00 MAPK1 (0.41) MAPK1GPR6PIK3C3PIN1KDM4C
SCHEMBL30990023 0.88 MAPK1 (0.43) MAPK1PIK3C3KDM4CGPBAR1PTGDR2
SCHEMBL30989941 0.88 MAPK1 (0.43) MAPK1PIK3C3KDM4CGPBAR1PTGDR2
SCHEMBL30990045 0.87 GPR6 (0.38) GPR6PIK3C3PIN1KDM4CGPBAR1
SCHEMBL30989902 0.87 GPR6 (0.38) GPR6PIK3C3PIN1KDM4CGPBAR1
SCHEMBL30989803 0.83 PIN1 (0.48) GPR6PIN1
SCHEMBL30989947 0.83 PIN1 (0.48) GPR6PIN1
SCHEMBL30989905 0.83 KDM4C (0.40) GPR6PIK3C3KDM4CKDM6BGPBAR1
SCHEMBL30989805 0.81 GPR6 (0.39) GPR6PIK3C3GPBAR1
SCHEMBL30989838 0.81 GPR6 (0.39) GPR6PIK3C3KDM4CGPBAR1

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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