SCHEMBL31504372

SCHEMBL31504372

N#Cc1ccccc1COc1ccc(Nc2cccc(C(=O)NCCC3CCCC3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.44
▸ PKN2 Q16513 1/20 0.43
▸ CHRM4 P08173 5/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ MET P08581 2/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ ADAM17 P78536 1/20 0.39

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
SCHEMBL21617155 1.00 ROCK2 (0.44) ROCK2PKN2CHRM4KCNH2SPHK2
SCHEMBL31504330 0.87 CHRM4 (0.47) CHRM4KCNH2
SCHEMBL21617167 0.87 CHRM4 (0.47) CHRM4KCNH2
SCHEMBL21617200 0.85 CHRM4 (0.56) CHRM4
SCHEMBL31504432 0.85 CHRM4 (0.56) CHRM4
SCHEMBL21617201 0.81 GPR132 (0.44) CHRM4
SCHEMBL31504383 0.81 GPR132 (0.44) CHRM4
SCHEMBL21617285 0.81 HPGD (0.45) CHRM4
SCHEMBL31504443 0.81 HPGD (0.45) CHRM4
SCHEMBL21617237 0.80 GPR132 (0.44) CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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