SCHEMBL31504450

SCHEMBL31504450

O=C(NCCC1CCCCC1)c1ccccc1Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.58
▸ CHRM4 P08173 6/20 0.50
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CTSV O60911 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MT-CO2 P00403 1/20 0.47
▸ SGMS2 Q8NHU3 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL21617278 1.00 SIRT2 (0.58) SIRT2CHRM4LMNAMAPTPKM
SCHEMBL31504389 0.87 MAOB (0.47) CHRM4CTSVCTSLRAB9ASGMS2
SCHEMBL21617188 0.87 MAOB (0.47) CHRM4CTSVCTSLRAB9ASGMS2
SCHEMBL21617306 0.85 MAOB (0.46) SIRT2CHRM4CTSVCTSLRAB9A
SCHEMBL31504451 0.85 MAOB (0.46) SIRT2CHRM4CTSVCTSLRAB9A
SCHEMBL21617165 0.84 MAOB (0.46) CHRM4CTSVCTSLRAB9ASGMS2
SCHEMBL31504355 0.84 MAOB (0.46) CHRM4CTSVCTSLRAB9ASGMS2
SCHEMBL21617200 0.81 CHRM4 (0.56) CHRM4LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL31504432 0.81 CHRM4 (0.56) CHRM4LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL21617297 0.80 SGMS2 (0.43) SIRT2CHRM4LMNAMAPTPKM

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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