SCHEMBL31504382

SCHEMBL31504382

O=C(NCC1CCCC1)c1ccccc1Nc1ccc(OCc2ccccn2)cc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.42
▸ CNR2 P34972 7/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SIRT2 Q8IXJ6 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
SCHEMBL21617253 1.00 CNR1 (0.42) CNR1CNR2NPC1KDM4EALDH1A1
SCHEMBL23308005 0.87 ALDH1A1 (0.45) CNR1CNR2NPC1KDM4EALDH1A1
SCHEMBL31504318 0.86 NPC1 (0.45) CNR1CNR2NPC1KDM4EALDH1A1
SCHEMBL21623472 0.86 NPC1 (0.45) CNR1CNR2NPC1KDM4EALDH1A1
SCHEMBL21617254 0.84 FGFR4 (0.38) CNR2ALDH1A1POLB
SCHEMBL31504370 0.84 CNR2 (0.42) CNR2ALDH1A1HPGDPOLB
SCHEMBL21617159 0.84 CNR2 (0.42) CNR2ALDH1A1HPGDPOLB
SCHEMBL21617197 0.81 CTSK (0.40) CNR2HPGD
SCHEMBL31504434 0.81 CTSK (0.40) CNR2HPGD
SCHEMBL21617306 0.78 MAOB (0.46) NPC1KDM4EALDH1A1SIRT2

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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