SCHEMBL31504330

SCHEMBL31504330

O=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccc3F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 7/20 0.47
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR5 Q9H1C0 2/20 0.43
▸ KAT6A Q92794 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP14 Q460N5 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ HPD P32754 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40

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
SCHEMBL21617167 1.00 CHRM4 (0.47) CHRM4LPAR1LPAR5KAT6AMAOB
SCHEMBL31504432 0.87 CHRM4 (0.56) CHRM4
SCHEMBL21617200 0.87 CHRM4 (0.56) CHRM4
SCHEMBL21617155 0.87 ROCK2 (0.44) CHRM4KCNH2
SCHEMBL31504372 0.87 ROCK2 (0.44) CHRM4KCNH2
SCHEMBL21617201 0.84 GPR132 (0.44) CHRM4PARP10
SCHEMBL31504383 0.84 GPR132 (0.44) CHRM4PARP10
SCHEMBL21617285 0.83 HPGD (0.45) CHRM4PARP10
SCHEMBL31504443 0.83 HPGD (0.45) CHRM4PARP10
SCHEMBL21617237 0.82 GPR132 (0.44) CHRM4PARP10

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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