SCHEMBL9006185

SCHEMBL9006185

COC(=O)CCC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)CN1Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 5/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ TBXAS1 P24557 12/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL9025046 1.00 TBXA2R (0.43) TBXA2RPTGDRTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9006194 0.93 TBXAS1 (0.48) TBXA2RPTGDRTBXAS1
SCHEMBL9024135 0.93 TBXAS1 (0.48) TBXA2RPTGDRTBXAS1
SCHEMBL9006241 0.92 TBXAS1 (0.48) TBXA2RPTGDRTBXAS1
SCHEMBL9024494 0.92 TBXAS1 (0.48) TBXA2RPTGDRTBXAS1
SCHEMBL9025186 0.91 TBXAS1 (0.40) TBXA2RPTGDRTBXAS1
SCHEMBL9006141 0.91 TBXAS1 (0.40) TBXA2RPTGDRTBXAS1
SCHEMBL9024389 0.91 TBXAS1 (0.46) TBXA2RTBXAS1
SCHEMBL9006132 0.91 TBXAS1 (0.46) TBXA2RTBXAS1
SCHEMBL9006313 0.88 TBXAS1 (0.47) TBXA2RTBXAS1ALDH1A1SMN1; 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 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-5514701-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 — — US disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
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