SCHEMBL9646098

SCHEMBL9646098

COC(=O)CCC/C=C\C1CC(NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 6/20 0.43
▸ PTGDR Q13258 3/20 0.43
▸ TBXAS1 P24557 6/20 0.41
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL9006193 1.00 TBXA2R (0.43) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006199 1.00 TBXA2R (0.43) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006151 0.97 TBXA2R (0.41) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006118 0.97 TBXA2R (0.41) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9024778 0.97 TBXA2R (0.41) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006145 0.97 TBXA2R (0.41) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006242 0.96 PTGDR (0.43) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9024412 0.96 PTGDR (0.43) TBXA2RPTGDRTBXAS1ALDH1A1LMNA
SCHEMBL9006096 0.96 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006089 0.96 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTTALDH1A1

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-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
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