SCHEMBL31349999

SCHEMBL31349999

O=C([O-])c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl.[Na+]

nearest known ligand 0.85

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.85
ADRA1A P35348 1/20 0.85
HRH1 P35367 1/20 0.85

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
SCHEMBL31312057 0.92 CYP2C9 (1.00) CYP2C9ADRA1AHRH1
SCHEMBL787354 0.92 CYP2C9 (1.00) CYP2C9ADRA1AHRH1
SCHEMBL787373 0.91 CYP2C9 (0.98) CYP2C9ADRA1AHRH1
SCHEMBL31409546 0.91 CYP2C9 (0.86) CYP2C9ADRA1AHRH1
SCHEMBL787513 0.90 CYP2C9 (0.97) CYP2C9ADRA1AHRH1
SCHEMBL787600 0.89 CYP2C9 (0.83) CYP2C9ADRA1AHRH1
SCHEMBL31350040 0.89 CYP2C9 (0.83) CYP2C9ADRA1AHRH1
SCHEMBL787381 0.89 CYP2C9 (0.82) CYP2C9ADRA1AHRH1
SCHEMBL787603 0.88 CYP2C9 (0.93) CYP2C9ADRA1AHRH1
SCHEMBL31409486 0.87 CYP2C9 (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025019598-A1 POSITIVE ALLOSTERIC MODULATOR OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 2 RECEPTOR, SYNTHESIS AND SOLID FORMS THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-23 WO claimed
WO-2025019598-A1 POSITIVE ALLOSTERIC MODULATOR OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 2 RECEPTOR, SYNTHESIS AND SOLID FORMS THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-23 WO disclosed
WO-2025019598-A1 POSITIVE ALLOSTERIC MODULATOR OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 2 RECEPTOR, SYNTHESIS AND SOLID FORMS THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-23 WO disclosed