SCHEMBL9006073

SCHEMBL9006073

O=C(O)CC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 20/20 0.55
▸ TBXA2R P21731 4/20 0.46

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
SCHEMBL9024488 1.00 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL9024043 0.95 TBXAS1 (0.56) TBXAS1TBXA2R
SCHEMBL9006081 0.95 TBXAS1 (0.56) TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL8657761 0.94 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL9024441 0.94 TBXAS1 (0.54) TBXAS1TBXA2R
SCHEMBL9006207 0.94 TBXAS1 (0.54) TBXAS1TBXA2R
Water SCHEMBL2925887 0.94 TBXAS1 (0.55) TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL8657765 0.94 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL9006313 0.91 TBXAS1 (0.47) TBXAS1TBXA2R
SCHEMBL9023397 0.91 TBXAS1 (0.47) 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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