SCHEMBL8545966

SCHEMBL8545966

COC(=O)CCn1c(C)c(Cc2cccnc2)c2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.78
PTGDR2 Q9Y5Y4 1/20 0.52
TBXA2R P21731 2/20 0.45
ALDH1A1 P00352 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
SCHEMBL8582385 0.93 TBXAS1 (0.67) TBXAS1PTGDR2TBXA2R
SCHEMBL8542545 0.92 TBXAS1 (0.88) TBXAS1PTGDR2TBXA2R
SCHEMBL8538829 0.85 TBXAS1 (0.59) TBXAS1PTGDR2TBXA2R
SCHEMBL8537433 0.85 TBXAS1 (0.76) TBXAS1PTGDR2TBXA2R
SCHEMBL8538888 0.84 TBXAS1 (0.75) TBXAS1PTGDR2TBXA2R
SCHEMBL8538702 0.84 TBXAS1 (0.64) TBXAS1TBXA2R
SCHEMBL8541550 0.84 TBXAS1 (0.78) TBXAS1ALDH1A1
SCHEMBL8539545 0.82 TBXAS1 (0.67) TBXAS1PTGDR2
SCHEMBL8544370 0.81 TBXAS1 (0.53) TBXAS1PTGDR2ALDH1A1
SCHEMBL8538700 0.80 TBXAS1 (0.55) TBXAS1TBXA2RALDH1A1

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed