SCHEMBL30990005

SCHEMBL30990005

COc1ncc(F)cc1C(=O)NC1CCOc2c(F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ P2RX7 Q99572 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TAS1R3 Q7RTX0 4/20 0.38
▸ TAS1R1 Q7RTX1 4/20 0.38
▸ TAS1R2 Q8TE23 4/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ HSD17B2 P37059 1/20 0.37
▸ GPR6 P46095 3/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ PDE4C Q08493 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ADRA2A P08913 1/20 0.36

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
SCHEMBL30989933 0.91 P2RX7 (0.42) MAPK1P2RX7MEN1KMT2ATAS1R3
SCHEMBL30989929 0.91 P2RX7 (0.42) MAPK1P2RX7MEN1KMT2ATAS1R3
SCHEMBL30990045 0.80 GPR6 (0.38) PDE4APDE4BPDE4DGPR6PDE4C
SCHEMBL30989902 0.80 GPR6 (0.38) PDE4APDE4BPDE4DGPR6PDE4C
SCHEMBL30989853 0.79 PDE4A (0.54) PDE4APDE4BPDE4DMEN1KMT2A
SCHEMBL30989892 0.78 NTRK1 (0.46) MAPK1P2RX7HSD17B2GPR6
SCHEMBL30989860 0.78 NTRK1 (0.39) PDE4APDE4BPDE4DP2RX7MEN1
SCHEMBL30989956 0.75 MAPK1 (0.54) MAPK1P2RX7MEN1KMT2A
SCHEMBL30989858 0.74 GPR6 (0.39) PDE4APDE4BPDE4DP2RX7GPR6
SCHEMBL1265177 0.73 P2RX7 (0.47) P2RX7

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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