SCHEMBL8030163

SCHEMBL8030163

O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(N1CCOCC1)c1sccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 1.00
POLB P06746 1/20 0.78
RXFP1 Q9HBX9 9/20 0.73
MAPT P10636 3/20 0.63
GAA P10253 1/20 0.62

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
SCHEMBL8019326 0.92 HTR6 (0.98) HTR6POLBRXFP1MAPTGAA
SCHEMBL8027278 0.90 HTR6 (0.85) HTR6POLBRXFP1MAPTGAA
SCHEMBL8018275 0.89 RXFP1 (0.82) HTR6POLBRXFP1MAPT
SCHEMBL8019071 0.85 HTR6 (0.76) HTR6POLBRXFP1MAPTGAA
SCHEMBL8029242 0.84 CRHBP (0.74) HTR6POLBRXFP1MAPT
SCHEMBL8026961 0.83 RXFP1 (1.00) HTR6RXFP1MAPT
SCHEMBL8030781 0.80 RXFP1 (0.85) HTR6POLBRXFP1MAPT
SCHEMBL8028230 0.80 HTR6 (0.98) HTR6RXFP1
SCHEMBL8029215 0.79 RXFP1 (0.82) HTR6POLBRXFP1MAPT
SCHEMBL8034015 0.79 HTR6 (1.00) HTR6POLBRXFP1MAPT

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-2009093934-A2 SUBSTITUTED 3-SULPHONYL-[1,2,3]TRIAZOLO [1,5-A]PYRIMIDINES-ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, MEDICINAL SUBSTANCE, PHARMACEUTICAL COMPOSITION, MEDICINAL PREPARATION AND METHODS FOR THE PRODUCTION THEREOF ALLA CHEM, LLC (US) 2009-07-30 WO disclosed