SCHEMBL31504445

SCHEMBL31504445

Cc1c(Nc2ccc(OCc3ccccn3)cc2C2CC2)cccc1OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ SMO Q99835 7/20 0.38
▸ MAPK14 Q16539 6/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ TOP1 P11387 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 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
SCHEMBL21623470 1.00 CNR2 (0.40) CNR2SMOMAPK14KMT2AMCHR1
SCHEMBL21617171 0.90 CNR2 (0.39) CNR2SMOMAPK14KMT2AMCHR1
SCHEMBL31504377 0.90 CNR2 (0.39) CNR2SMOMAPK14KMT2AMCHR1
SCHEMBL23308003 0.88 CNR2 (0.39) CNR2SMOMAPK14KMT2AMCHR1
SCHEMBL21623448 0.85 DGAT1 (0.40) CNR2SMOMAPK14KMT2AMCHR1
SCHEMBL21617241 0.80 DGAT1 (0.40) CNR2SMOMAPK14KMT2AMCHR1
SCHEMBL21617226 0.78 CNR2 (0.39) CNR2SMOMAPK14MCHR1TYK2
SCHEMBL31504348 0.77 CNR2 (0.40) CNR2SMOMAPK14KMT2ATYK2
SCHEMBL21623401 0.77 CNR2 (0.40) CNR2SMOMAPK14KMT2ATYK2
SCHEMBL33372527 0.77 DGAT1 (0.39) CNR2SMOMAPK14KMT2AMCHR1

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
Send feedback