SCHEMBL31312401

SCHEMBL31312401

COC(=O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3O)C4=O)c2)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.69
ADRA1A P35348 1/20 0.69
HRH1 P35367 1/20 0.69

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
SCHEMBL31312311 0.91 CYP2C9 (0.82) CYP2C9ADRA1AHRH1
SCHEMBL787600 0.91 CYP2C9 (0.83) CYP2C9ADRA1AHRH1
SCHEMBL31350040 0.91 CYP2C9 (0.83) CYP2C9ADRA1AHRH1
SCHEMBL31312166 0.89 CYP2C9 (0.61) CYP2C9ADRA1AHRH1
SCHEMBL31312098 0.88 CYP2C9 (0.69) CYP2C9ADRA1AHRH1
SCHEMBL31312010 0.87 CYP2C9 (0.70) CYP2C9ADRA1AHRH1
SCHEMBL31312054 0.87 CYP2C9 (0.63) CYP2C9ADRA1AHRH1
SCHEMBL31312115 0.87 CYP2C9 (0.61) CYP2C9ADRA1AHRH1
SCHEMBL31312120 0.86 CYP2C9 (0.65) CYP2C9ADRA1AHRH1
SCHEMBL31409549 0.85 CYP2C9 (0.62) CYP2C9ADRA1AHRH1

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
WO-2024263563-A1 METABOTROPIC GLUTAMATE SUBTYPE-2 AND -3 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-12-26 WO disclosed