SCHEMBL31504370

SCHEMBL31504370

CC(C)CCNC(=O)c1ccccc1Nc1ccc(OCc2ccccn2)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK14 Q16539 3/20 0.37
▸ SMO Q99835 3/20 0.37

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
SCHEMBL21617159 1.00 CNR2 (0.42) CNR2KMT2AMAPTRAB9ABRD4
SCHEMBL21617202 0.87 BRD4 (0.43) CNR2KMT2ARAB9ABRD4HPGD
SCHEMBL31504329 0.87 BRD4 (0.43) CNR2KMT2ARAB9ABRD4HPGD
SCHEMBL21617254 0.86 FGFR4 (0.38) CNR2KMT2AMAPTRAB9ABRD4
SCHEMBL21617255 0.86 CNR2 (0.42) CNR2KMT2ABRD4MAPK14SMO
SCHEMBL31504418 0.86 CNR2 (0.42) CNR2KMT2ABRD4MAPK14SMO
SCHEMBL21617253 0.84 CNR1 (0.42) CNR2HPGDALDH1A1POLB
SCHEMBL31504382 0.84 CNR1 (0.42) CNR2HPGDALDH1A1POLB
SCHEMBL23308031 0.83 CNR2 (0.38) CNR2KMT2AMAPTBRD4FGFR4
SCHEMBL21617101 0.80 KMT2A (0.43) KMT2ARAB9AKCNA5HPGDALDH1A1

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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