SCHEMBL30989795

SCHEMBL30989795

CN(C(=O)c1cc(Cl)cnc1OC(F)F)C1COc2cc(F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.34
▸ LTB4R2 Q9NPC1 4/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ OXTR P30559 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ PTGER4 P35408 3/20 0.33
▸ PTGER2 P43116 2/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM6B O15054 1/20 0.32

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
SCHEMBL30989824 0.92 GPR6 (0.34) LTB4RLTB4R2HCRTR2OXTRHCRTR1
SCHEMBL30989815 0.90 TRPM8 (0.36) HCRTR2HCRTR1PTGER4SCN9A
SCHEMBL30989950 0.90 GPR6 (0.37) LTB4RLTB4R2HCRTR2OXTRHCRTR1
SCHEMBL30989774 0.90 GPR6 (0.37) LTB4RLTB4R2HCRTR2OXTRHCRTR1
SCHEMBL30989764 0.85 SCN9A (0.33) PTGER4PTGER2SCN9AGPR6
SCHEMBL30989839 0.83 TRPM8 (0.37) LTB4RLTB4R2HCRTR2HCRTR1GPR6
SCHEMBL30989838 0.81 GPR6 (0.39) HCRTR2HCRTR1GPR6KDM4C
SCHEMBL30989859 0.81 GPR6 (0.39) HCRTR2HCRTR1GPR6KDM4C
SCHEMBL30989905 0.80 KDM4C (0.40) OXTRAVPR1AGPR6KDM4CKDM6B
SCHEMBL30989814 0.78 MAPK1 (0.36) HCRTR2SCN9A

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
Send feedback