SCHEMBL9024135

SCHEMBL9024135

COC(=O)CCCC=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 18/20 0.48
▸ TBXA2R P21731 7/20 0.48
▸ PTGDR Q13258 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9006194 1.00 TBXAS1 (0.48) TBXAS1TBXA2RPTGDRKDM4E
SCHEMBL9006132 0.98 TBXAS1 (0.46) TBXAS1TBXA2RKDM4E
SCHEMBL9024389 0.98 TBXAS1 (0.46) TBXAS1TBXA2RKDM4E
SCHEMBL9023397 0.95 TBXAS1 (0.47) TBXAS1TBXA2RKDM4E
SCHEMBL9006313 0.95 TBXAS1 (0.47) TBXAS1TBXA2RKDM4E
SCHEMBL9006086 0.93 TBXAS1 (0.49) TBXAS1TBXA2R
SCHEMBL9006093 0.93 TBXAS1 (0.49) TBXAS1TBXA2R
SCHEMBL9025046 0.93 TBXA2R (0.43) TBXAS1TBXA2RPTGDR
SCHEMBL9006185 0.93 TBXA2R (0.43) TBXAS1TBXA2RPTGDR
SCHEMBL9006081 0.92 TBXAS1 (0.56) TBXAS1TBXA2R

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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