SCHEMBL9024285

SCHEMBL9024285

COC(=O)CCCC=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1CCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.44
▸ PTGDR Q13258 3/20 0.44
▸ TBXAS1 P24557 7/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 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
SCHEMBL9006238 1.00 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9023533 0.99 TBXA2R (0.43) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006272 0.99 TBXA2R (0.43) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9023689 0.98 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006228 0.98 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006180 0.96 TBXA2R (0.46) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9023990 0.96 TBXA2R (0.46) TBXA2RPTGDRTBXAS1HTTALDH1A1
SCHEMBL9006184 0.92 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTT
SCHEMBL9025339 0.92 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTT
SCHEMBL9024374 0.91 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTT

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-0367130-B1 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 — — EP disclosed
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