SCHEMBL9709633

SCHEMBL9709633

CCOC(=O)CCC(CCCCN)CCCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.50
HRH1 P35367 2/20 0.50
CYP2A6 P11509 1/20 0.49
TBXA2R P21731 1/20 0.46
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9732879 0.90 HRH1 (0.51) TBXAS1HRH1CYP2A6CYP3A4
SCHEMBL9732224 0.87 HRH1 (0.56) TBXAS1HRH1CYP2A6CYP3A4
SCHEMBL9734346 0.86 HRH1 (0.49) TBXAS1HRH1CYP2A6TBXA2RCYP3A4
SCHEMBL9732269 0.84 TBXAS1 (0.60) TBXAS1HRH1CYP2A6TBXA2R
SCHEMBL9732813 0.83 HRH1 (0.48) TBXAS1HRH1CYP2A6CYP3A4
SCHEMBL10622938 0.81 TBXAS1 (0.57) TBXAS1CYP2A6
SCHEMBL9732456 0.80 TBXAS1 (0.47) TBXAS1
SCHEMBL5962751 0.80 TBXAS1 (0.64) TBXAS1HRH1
SCHEMBL30178297 0.80 TBXAS1 (0.64) TBXAS1HRH1
SCHEMBL9710028 0.79 TBXAS1 (0.78) TBXAS1TBXA2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed