SCHEMBL9668934

SCHEMBL9668934

O=C(NCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CSC(c2cccnc2)N1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.52
▸ DRD3 P35462 5/20 0.51
▸ DRD2 P14416 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ CYP3A5 P20815 1/20 0.45
▸ HRH1 P35367 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ TEK Q02763 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9668942 1.00 PTAFR (0.52) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9668939 1.00 PTAFR (0.52) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9253469 0.95 DRD3 (0.55) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9253460 0.95 DRD3 (0.55) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9253464 0.95 DRD3 (0.55) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9668558 0.95 PTAFR (0.56) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9668562 0.95 PTAFR (0.56) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9256357 0.93 PTAFR (0.55) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9256360 0.93 PTAFR (0.55) PTAFRDRD3DRD2KDM4EALDH1A1
SCHEMBL9259448 0.93 PTAFR (0.54) PTAFRDRD3DRD2KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 — — EP disclosed
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