SCHEMBL9669731

SCHEMBL9669731

O=C(NCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CSC(c2cccnc2)N1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.59
▸ DRD2 P14416 7/20 0.52
▸ DRD3 P35462 7/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX5 P09917 1/20 0.47

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
SCHEMBL9669732 1.00 PTAFR (0.59) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9258675 0.97 PTAFR (0.59) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9258677 0.97 PTAFR (0.59) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9253469 0.95 DRD3 (0.55) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9253464 0.95 DRD3 (0.55) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9253460 0.95 DRD3 (0.55) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9668558 0.95 PTAFR (0.56) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9668562 0.95 PTAFR (0.56) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9256357 0.93 PTAFR (0.55) PTAFRDRD2DRD3KDM4EALDH1A1
SCHEMBL9256360 0.93 PTAFR (0.55) PTAFRDRD2DRD3KDM4EALDH1A1

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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