SCHEMBL9006096

SCHEMBL9006096

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 4/20 0.47
▸ TBXA2R P21731 3/20 0.47
▸ HTT P42858 1/20 0.45
▸ TBXAS1 P24557 7/20 0.40
▸ STS P08842 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL9006089 1.00 PTGDR (0.47) PTGDRTBXA2RHTTTBXAS1STS
SCHEMBL9646098 0.96 TBXA2R (0.43) PTGDRTBXA2RHTTTBXAS1ALDH1A1
SCHEMBL9006193 0.96 TBXA2R (0.43) PTGDRTBXA2RHTTTBXAS1ALDH1A1
SCHEMBL9006199 0.96 TBXA2R (0.43) PTGDRTBXA2RHTTTBXAS1ALDH1A1
SCHEMBL9024714 0.95 PTGDR (0.52) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9006259 0.95 PTGDR (0.52) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9023990 0.93 TBXA2R (0.46) PTGDRTBXA2RHTTTBXAS1STS
SCHEMBL9006180 0.93 TBXA2R (0.46) PTGDRTBXA2RHTTTBXAS1STS
SCHEMBL9024719 0.93 TBXA2R (0.47) PTGDRTBXA2RHTTTBXAS1STS
SCHEMBL9006133 0.93 TBXA2R (0.47) PTGDRTBXA2RHTTTBXAS1STS

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 5 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
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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