SCHEMBL30989913

SCHEMBL30989913

COc1ncc(Cl)cc1C(=O)N(C)[C@@H]1CCOc2c(F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ GPR6 P46095 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ RORC P51449 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL30989852 1.00 GPBAR1 (0.36) GPBAR1PTGDR2TRPM8JAK2JAK3
SCHEMBL30990045 0.91 GPR6 (0.38) GPBAR1PTGDR2JAK2JAK3JAK1
SCHEMBL30989902 0.91 GPR6 (0.38) GPBAR1PTGDR2JAK2JAK3JAK1
SCHEMBL30989905 0.85 KDM4C (0.40) GPBAR1PTGDR2GPR6ADRA2APIK3C3
SCHEMBL30989941 0.85 MAPK1 (0.43) GPBAR1PTGDR2TRPM8PIK3C3KDM4C
SCHEMBL30990023 0.85 MAPK1 (0.43) GPBAR1PTGDR2TRPM8PIK3C3KDM4C
SCHEMBL30989764 0.81 SCN9A (0.33) GPR6
SCHEMBL30989933 0.81 P2RX7 (0.42) JAK2JAK3JAK1GPR6
SCHEMBL30989929 0.81 P2RX7 (0.42) JAK2JAK3JAK1GPR6
SCHEMBL30989894 0.78 SPR (0.47) GPBAR1TRPM8PDE4APDE4BPDE4C

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
Send feedback