SCHEMBL31504451

SCHEMBL31504451

O=C(NCCC1CCCCC1)c1ccccc1Nc1ccc(OCc2ccccc2)cc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.45
▸ CHRM4 P08173 6/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SIRT2 Q8IXJ6 3/20 0.41

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
SCHEMBL21617306 1.00 MAOB (0.46) MAOBMAOASGMS2CHRM4MEN1
SCHEMBL31504359 0.95 SGMS2 (0.43) MAOBMAOASGMS2CHRM4MEN1
SCHEMBL21617297 0.95 SGMS2 (0.43) MAOBMAOASGMS2CHRM4MEN1
SCHEMBL21623472 0.91 NPC1 (0.45) MAOBSGMS2MEN1KMT2ANPC1
SCHEMBL31504318 0.91 NPC1 (0.45) MAOBSGMS2MEN1KMT2ANPC1
SCHEMBL23308005 0.90 ALDH1A1 (0.45) MAOBSGMS2MEN1KMT2ANPC1
SCHEMBL21617188 0.89 MAOB (0.47) MAOBMAOASGMS2CHRM4MEN1
SCHEMBL31504389 0.89 MAOB (0.47) MAOBMAOASGMS2CHRM4MEN1
SCHEMBL21617165 0.87 MAOB (0.46) MAOBMAOASGMS2CHRM4MEN1
SCHEMBL31504355 0.87 MAOB (0.46) MAOBMAOASGMS2CHRM4MEN1

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-3820850-B1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2026-04-01 — — EP disclosed
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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