SCHEMBL31409490

SCHEMBL31409490

O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(CC(F)(F)F)C4=O)c2)ccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.69
ADRA1A P35348 1/20 0.69
HRH1 P35367 1/20 0.69
CYP1A2 P05177 1/20 0.51

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
SCHEMBL31409534 0.92 CYP2C9 (0.69) CYP2C9ADRA1AHRH1
SCHEMBL31409509 0.91 CYP2C9 (0.57) CYP2C9ADRA1AHRH1
SCHEMBL31409550 0.90 CYP2C9 (0.73) CYP2C9ADRA1AHRH1CYP1A2
SCHEMBL31409599 0.89 CYP2C9 (0.72) CYP2C9ADRA1AHRH1
SCHEMBL797710 0.89 CYP2C9 (0.65) CYP2C9ADRA1AHRH1CYP1A2
SCHEMBL15779632 0.88 CYP2C9 (0.67) CYP2C9ADRA1AHRH1CYP1A2
SCHEMBL31409485 0.87 CYP2C9 (0.68) CYP2C9ADRA1AHRH1
SCHEMBL787263 0.87 CYP2C9 (0.70) CYP2C9ADRA1AHRH1
SCHEMBL31409554 0.87 CYP2C9 (0.70) CYP2C9ADRA1AHRH1CYP1A2
SCHEMBL787252 0.86 CYP2C9 (0.69) 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-2025006553-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-02 WO disclosed