SCHEMBL31504377

SCHEMBL31504377

CCOP(=O)(OCC)Oc1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.39
▸ MAPK14 Q16539 4/20 0.37
▸ SMO Q99835 4/20 0.37
▸ GABRG2 P18507 4/20 0.36
▸ GABRB3 P28472 4/20 0.36
▸ GABRA5 P31644 4/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ GABRA3 P34903 3/20 0.36
▸ GABRA2 P47869 3/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL21617171 1.00 CNR2 (0.39) CNR2MAPK14SMOGABRG2GABRB3
SCHEMBL21623470 0.90 CNR2 (0.40) CNR2MAPK14SMOMCHR1KMT2A
SCHEMBL31504445 0.90 CNR2 (0.40) CNR2MAPK14SMOMCHR1KMT2A
SCHEMBL21617226 0.87 CNR2 (0.39) CNR2MAPK14SMOMCHR1
SCHEMBL23308003 0.82 CNR2 (0.39) CNR2MAPK14SMOMCHR1KMT2A
SCHEMBL21623448 0.76 DGAT1 (0.40) CNR2MAPK14SMOMCHR1KMT2A
SCHEMBL21617241 0.75 DGAT1 (0.40) CNR2MAPK14SMOMCHR1KMT2A
SCHEMBL31504348 0.74 CNR2 (0.40) CNR2MAPK14SMOKMT2A
SCHEMBL21623401 0.74 CNR2 (0.40) CNR2MAPK14SMOKMT2A
SCHEMBL21617236 0.74 KMT2A (0.38) CNR2MAPK14SMOKMT2A

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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