SCHEMBL30989905

SCHEMBL30989905

COc1ncc(Cl)cc1C(=O)N(C)C1CCOc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 11/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ KDM6B O15054 3/20 0.37
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NTRK1 P04629 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
SCHEMBL30989774 0.90 GPR6 (0.37) KDM4CGPBAR1GPR6PIK3C3OXTR
SCHEMBL30989950 0.90 GPR6 (0.37) KDM4CGPBAR1GPR6PIK3C3OXTR
SCHEMBL30990023 0.89 MAPK1 (0.43) KDM4CGPBAR1PIK3C3PTGDR2
SCHEMBL30989941 0.89 MAPK1 (0.43) KDM4CGPBAR1PIK3C3PTGDR2
SCHEMBL30989852 0.85 GPBAR1 (0.36) KDM4CGPBAR1GPR6PIK3C3ADRA2A
SCHEMBL30989913 0.85 GPBAR1 (0.36) KDM4CGPBAR1GPR6PIK3C3ADRA2A
SCHEMBL30989831 0.83 MAPK1 (0.41) KDM4CGPBAR1GPR6PIK3C3KDM6B
SCHEMBL30990026 0.83 MAPK1 (0.41) KDM4CGPBAR1GPR6PIK3C3KDM6B
SCHEMBL30989826 0.82 GPR6 (0.39) GPBAR1GPR6PIK3C3
SCHEMBL30989859 0.81 GPR6 (0.39) KDM4CGPBAR1GPR6PIK3C3NTRK1

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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