SCHEMBL8538702

SCHEMBL8538702

COC(=O)CCn1cc(Cc2cccnc2)c2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.64
TBXA2R P21731 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
SCHEMBL8537426 0.92 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL8538689 0.87 TBXAS1 (0.84) TBXAS1
SCHEMBL8541177 0.86 TBXAS1 (0.54) TBXAS1
SCHEMBL8544727 0.85 TBXAS1 (0.52) TBXAS1TBXA2R
SCHEMBL8545966 0.84 TBXAS1 (0.78) TBXAS1TBXA2R
SCHEMBL8539267 0.82 TBXAS1 (0.79) TBXAS1
SCHEMBL8538159 0.82 TBXAS1 (0.50) TBXAS1
SCHEMBL8544402 0.82 TBXAS1 (0.56) TBXAS1
SCHEMBL8543141 0.80 TBXAS1 (0.46) TBXAS1
Trifluoroacetic Acid SCHEMBL9221603 0.80 TBXAS1 (0.55) TBXAS1

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US claimed
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed