SCHEMBL9006208

SCHEMBL9006208

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 11/20 0.48
▸ TBXA2R P21731 4/20 0.48
▸ PTGDR Q13258 4/20 0.46
▸ CCR9 P51686 1/20 0.40
▸ HIF1A Q16665 4/20 0.39
▸ EPAS1 Q99814 4/20 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
SCHEMBL9006204 1.00 TBXAS1 (0.48) TBXAS1TBXA2RPTGDRCCR9HIF1A
SCHEMBL9006141 0.92 TBXAS1 (0.40) TBXAS1TBXA2RPTGDRCCR9HIF1A
SCHEMBL9025186 0.92 TBXAS1 (0.40) TBXAS1TBXA2RPTGDRCCR9HIF1A
SCHEMBL9006222 0.91 PTGDR (0.51) TBXAS1TBXA2RPTGDR
SCHEMBL9006241 0.91 TBXAS1 (0.48) TBXAS1TBXA2RPTGDR
SCHEMBL9006218 0.91 PTGDR (0.51) TBXAS1TBXA2RPTGDR
SCHEMBL9024494 0.91 TBXAS1 (0.48) TBXAS1TBXA2RPTGDR
SCHEMBL9006081 0.90 TBXAS1 (0.56) TBXAS1TBXA2R
SCHEMBL9024043 0.90 TBXAS1 (0.56) TBXAS1TBXA2R
Water SCHEMBL2925887 0.89 TBXAS1 (0.55) 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-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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