SCHEMBL6984230

SCHEMBL6984230

CN(C)CCOc1ccc(CCc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.60
TBXAS1 P24557 5/20 0.56
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
SGMS1 Q86VZ5 2/20 0.52

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
SCHEMBL7225490 0.94 TBXA2R (0.59) TBXA2RTBXAS1SGMS1
SCHEMBL6186223 0.86 TBXA2R (0.59) TBXA2RTBXAS1
SCHEMBL7225547 0.85 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL6184164 0.81 TBXA2R (0.58) TBXA2RTBXAS1
SCHEMBL6182528 0.81 TBXA2R (0.57) TBXA2RTBXAS1
SCHEMBL9130164 0.81 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL7235498 0.80 TBXA2R (0.59) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL8595627 0.80 TBXAS1 (0.73) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL7227176 0.79 TBXA2R (0.57) TBXA2RTBXAS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7227614 0.78 TBXA2R (0.56) TBXA2RTBXAS1ALDH1A1MAPT

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 2 patents. 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
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed