SCHEMBL9006180

SCHEMBL9006180

COC(=O)CCC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.46
▸ PTGDR Q13258 3/20 0.46
▸ TBXAS1 P24557 7/20 0.42
▸ HTT P42858 1/20 0.41
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ STS P08842 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37

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
SCHEMBL9023990 1.00 TBXA2R (0.46) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9023689 0.97 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9006228 0.97 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9006238 0.96 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9024285 0.96 TBXA2R (0.44) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9006272 0.95 TBXA2R (0.43) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9023533 0.95 TBXA2R (0.43) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9006096 0.93 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9006089 0.93 PTGDR (0.47) TBXA2RPTGDRTBXAS1HTTHTR1A
SCHEMBL9024290 0.92 PTGDR (0.49) 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-5514701-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 — — US disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 — — EP disclosed
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