SCHEMBL9024704

SCHEMBL9024704

O=C(O)CCCC=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 11/20 0.49
▸ TBXA2R P21731 4/20 0.49
▸ PTGIR P43119 1/20 0.49
▸ TBXAS1 P24557 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL9006134 1.00 PTGDR (0.49) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9006131 0.95 TBXA2R (0.48) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9025167 0.95 TBXA2R (0.48) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9024128 0.95 TBXA2R (0.49) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9006172 0.95 TBXA2R (0.49) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9024714 0.92 PTGDR (0.52) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9006259 0.92 PTGDR (0.52) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9024027 0.91 TBXA2R (0.47) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9006057 0.91 TBXA2R (0.47) PTGDRTBXA2RPTGIRTBXAS1HTT
SCHEMBL9006100 0.91 TBXA2R (0.47) PTGDRTBXA2RTBXAS1

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-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
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