SCHEMBL31504318

SCHEMBL31504318

O=C(NCC1CCCCC1)c1ccccc1Nc1ccc(OCc2ccccc2)cc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CTSV O60911 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 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
SCHEMBL21623472 1.00 NPC1 (0.45) NPC1ALDH1A1KDM4EMAOBCTSV
SCHEMBL23308005 0.99 ALDH1A1 (0.45) NPC1ALDH1A1KDM4EMAOBCTSV
SCHEMBL31504451 0.91 MAOB (0.46) NPC1ALDH1A1KDM4EMAOBCTSV
SCHEMBL21617306 0.91 MAOB (0.46) NPC1ALDH1A1KDM4EMAOBCTSV
SCHEMBL31504359 0.89 SGMS2 (0.43) NPC1ALDH1A1KDM4EMAOBCTSV
SCHEMBL21617297 0.89 SGMS2 (0.43) NPC1ALDH1A1KDM4EMAOBCTSV
SCHEMBL21617253 0.86 CNR1 (0.42) NPC1ALDH1A1KDM4ECNR1CNR2
SCHEMBL31504382 0.86 CNR1 (0.42) NPC1ALDH1A1KDM4ECNR1CNR2
SCHEMBL5968109 0.80 SGMS2 (0.55) NPC1ALDH1A1MAOBSGMS2BRD4
SCHEMBL21617188 0.80 MAOB (0.47) NPC1ALDH1A1MAOBCTSVCTSL

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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