SCHEMBL6184959

SCHEMBL6184959

CN(C)CCCOc1ccccc1CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(CCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TBXAS1 P24557 6/20 0.49
TBXA2R P21731 2/20 0.48
HRH1 P35367 1/20 0.45

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
SCHEMBL6184164 0.94 TBXA2R (0.58) TBXAS1TBXA2R
SCHEMBL6182528 0.91 TBXA2R (0.57) TBXAS1TBXA2R
SCHEMBL7227176 0.90 TBXA2R (0.57) ALDH1A1MAPTTBXAS1TBXA2R
SCHEMBL6186223 0.89 TBXA2R (0.59) TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL7227614 0.87 TBXA2R (0.56) ALDH1A1MAPTTBXAS1TBXA2RHRH1
SCHEMBL7235498 0.84 TBXA2R (0.59) ALDH1A1MAPTTBXAS1TBXA2R
SCHEMBL6185574 0.82 HRH1 (0.52) HRH1
SCHEMBL6184568 0.82 TBXA2R (0.54) ALDH1A1TBXA2R
SCHEMBL6184510 0.79 KDM4E (0.50) HRH1
SCHEMBL7225547 0.79 TBXA2R (0.60) ALDH1A1MAPTTBXAS1TBXA2R

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
EP-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP disclosed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed