SCHEMBL9023397

SCHEMBL9023397

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 15/20 0.47
▸ TBXA2R P21731 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL9006313 1.00 TBXAS1 (0.47) TBXAS1TBXA2RKDM4EALDH1A1SMN1; SMN2
SCHEMBL9024135 0.95 TBXAS1 (0.48) TBXAS1TBXA2RKDM4E
SCHEMBL9006194 0.95 TBXAS1 (0.48) TBXAS1TBXA2RKDM4E
SCHEMBL9006132 0.95 TBXAS1 (0.46) TBXAS1TBXA2RKDM4E
SCHEMBL9024389 0.95 TBXAS1 (0.46) TBXAS1TBXA2RKDM4E
SCHEMBL9024488 0.91 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL9006073 0.91 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL9006086 0.89 TBXAS1 (0.49) TBXAS1TBXA2R
SCHEMBL9006093 0.89 TBXAS1 (0.49) TBXAS1TBXA2R
SCHEMBL9006185 0.88 TBXA2R (0.43) TBXAS1TBXA2RALDH1A1SMN1; SMN2

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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