SCHEMBL30989885

SCHEMBL30989885

COc1ncc(Cl)cc1C(=O)NC1COc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.43
▸ P2RX7 Q99572 4/20 0.42
▸ RIPK1 Q13546 5/20 0.41
▸ HTR2A P28223 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38
▸ CRHR1 P34998 1/20 0.38

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
SCHEMBL30989956 0.90 MAPK1 (0.54) MAPK1P2RX7HTR2A
SCHEMBL30989846 0.88 GPR6 (0.42) P2RX7RIPK1MALT1CRHR1
SCHEMBL30990021 0.81 TAS1R3 (0.57) —
SCHEMBL30989814 0.79 MAPK1 (0.36) MAPK1MALT1
SCHEMBL30989892 0.78 NTRK1 (0.46) MAPK1P2RX7CRHR1
SCHEMBL30989860 0.78 NTRK1 (0.39) P2RX7RIPK1
SCHEMBL30989858 0.78 GPR6 (0.39) P2RX7RIPK1MALT1
SCHEMBL30989933 0.77 P2RX7 (0.42) MAPK1P2RX7CRHR1
SCHEMBL30989929 0.77 P2RX7 (0.42) MAPK1P2RX7CRHR1
SCHEMBL30989984 0.71 PTGER4 (0.42) —

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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