SCHEMBL7225705

SCHEMBL7225705

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2ccccc2OCCCN2CCN(c3nsc4ccccc34)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.56
HTR7 P34969 17/20 0.56
HTR6 P50406 17/20 0.56
DRD2 P14416 16/20 0.56
HTR1A P08908 2/20 0.54

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
Hydrochloric Acid SCHEMBL7226979 0.99 HTR2A (0.55) HTR2AHTR7HTR6DRD2HTR1A
SCHEMBL6182991 0.97 HTR2A (0.53) HTR2AHTR7HTR6DRD2HTR1A
Hydrochloric Acid SCHEMBL7225841 0.96 HTR2A (0.52) HTR2AHTR7HTR6DRD2HTR1A
SCHEMBL6184263 0.84 ABCB1 (0.51) HTR2AHTR7HTR6HTR1A
SCHEMBL6184834 0.84 DRD2 (0.51) HTR2AHTR7HTR6DRD2HTR1A
SCHEMBL6183970 0.82 TBXA2R (0.56)
SCHEMBL6182420 0.81 ABCB1 (0.50) HTR7
SCHEMBL7225838 0.81 DRD2 (0.57) HTR2AHTR7HTR6DRD2HTR1A
SCHEMBL6185306 0.80 HTR1A (0.48) HTR2AHTR7HTR6DRD2HTR1A
SCHEMBL6183084 0.80 TBXA2R (0.54)

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
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed