SCHEMBL9006141

SCHEMBL9006141

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 8/20 0.40
▸ TBXA2R P21731 3/20 0.40
▸ PTGDR Q13258 2/20 0.40
▸ HIF1A Q16665 4/20 0.40
▸ EPAS1 Q99814 4/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CCR9 P51686 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ SLC6A5 Q9Y345 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
SCHEMBL9025186 1.00 TBXAS1 (0.40) TBXAS1TBXA2RPTGDRHIF1AEPAS1
SCHEMBL9006204 0.92 TBXAS1 (0.48) TBXAS1TBXA2RPTGDRHIF1AEPAS1
SCHEMBL9006208 0.92 TBXAS1 (0.48) TBXAS1TBXA2RPTGDRHIF1AEPAS1
SCHEMBL9006108 0.91 PTGDR (0.46) TBXAS1TBXA2RPTGDR
SCHEMBL9025046 0.91 TBXA2R (0.43) TBXAS1TBXA2RPTGDR
SCHEMBL9006185 0.91 TBXA2R (0.43) TBXAS1TBXA2RPTGDR
SCHEMBL9006111 0.91 PTGDR (0.46) TBXAS1TBXA2RPTGDR
SCHEMBL9006194 0.90 TBXAS1 (0.48) TBXAS1TBXA2RPTGDR
SCHEMBL9024135 0.90 TBXAS1 (0.48) TBXAS1TBXA2RPTGDR
SCHEMBL9006132 0.88 TBXAS1 (0.46) 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 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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