SCHEMBL9006222

SCHEMBL9006222

O=C(O)CCCC=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 14/20 0.51
▸ TBXA2R P21731 9/20 0.44
▸ PTGIR P43119 1/20 0.43
▸ TBXAS1 P24557 1/20 0.40

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
SCHEMBL9006218 1.00 PTGDR (0.51) PTGDRTBXA2RPTGIRTBXAS1
SCHEMBL9006111 0.92 PTGDR (0.46) PTGDRTBXA2RPTGIRTBXAS1
SCHEMBL9006108 0.92 PTGDR (0.46) PTGDRTBXA2RPTGIRTBXAS1
SCHEMBL9006208 0.91 TBXAS1 (0.48) PTGDRTBXA2RTBXAS1
SCHEMBL9006204 0.91 TBXAS1 (0.48) PTGDRTBXA2RTBXAS1
SCHEMBL9025167 0.90 TBXA2R (0.48) PTGDRTBXA2RPTGIRTBXAS1
SCHEMBL9006131 0.90 TBXA2R (0.48) PTGDRTBXA2RPTGIRTBXAS1
SCHEMBL9006115 0.89 TBXA2R (0.49) PTGDRTBXA2RPTGIR
SCHEMBL9024816 0.89 TBXA2R (0.49) PTGDRTBXA2RPTGIR
SCHEMBL9006209 0.86 PTGDR (0.52) PTGDRTBXA2RPTGIR

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-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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