SCHEMBL8538416

SCHEMBL8538416

Cc1c(Cn2ccnc2)c2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc2n1CCC(=O)O

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.88
TBXA2R P21731 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL8541550 0.92 TBXAS1 (0.78) TBXAS1
SCHEMBL8544076 0.86 TBXAS1 (1.00) TBXAS1TBXA2RPTGDR2
SCHEMBL8541115 0.84 TBXAS1 (0.65) TBXAS1
SCHEMBL8542545 0.84 TBXAS1 (0.88) TBXAS1TBXA2RPTGDR2
SCHEMBL9023844 0.83 TBXAS1 (0.72) TBXAS1
SCHEMBL9814980 0.81 TBXAS1 (0.63) TBXAS1TBXA2RPTGDR2
SCHEMBL8309511 0.79 TBXAS1 (0.83) TBXAS1
SCHEMBL8543306 0.78 TBXAS1 (0.85) TBXAS1TBXA2RPTGDR2
SCHEMBL8541166 0.78 TBXAS1 (0.66) TBXAS1
SCHEMBL9023777 0.78 TBXAS1 (0.61) TBXAS1PTGDR2

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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP claimed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO claimed