SCHEMBL7225490

SCHEMBL7225490

CN(C)CCOc1ccc(OCc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.59
TBXAS1 P24557 7/20 0.55
SGMS1 Q86VZ5 1/20 0.50

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
SCHEMBL6984230 0.94 TBXA2R (0.60) TBXA2RTBXAS1SGMS1
SCHEMBL7225547 0.89 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL7235498 0.85 TBXA2R (0.59) TBXA2RTBXAS1
SCHEMBL6186223 0.83 TBXA2R (0.59) TBXA2RTBXAS1
SCHEMBL6184164 0.79 TBXA2R (0.58) TBXA2RTBXAS1
SCHEMBL7227176 0.78 TBXA2R (0.57) TBXA2RTBXAS1
SCHEMBL6182528 0.78 TBXA2R (0.57) TBXA2RTBXAS1
Hydrochloric Acid SCHEMBL7227614 0.78 TBXA2R (0.56) TBXA2RTBXAS1
SCHEMBL8595627 0.77 TBXAS1 (0.73) TBXA2RTBXAS1
SCHEMBL14327858 0.76 TBXA2R (1.00) TBXA2RTBXAS1

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