SCHEMBL9259448

SCHEMBL9259448

O=C(NCCN1CCN(C(c2ccccc2)c2ccncc2)CC1)[C@@H]1CSC(c2cccnc2)N1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 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
SCHEMBL9259452 1.00 PTAFR (0.54) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9668562 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9668558 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9256360 0.96 PTAFR (0.55) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9256357 0.96 PTAFR (0.55) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9668942 0.93 PTAFR (0.52) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9668934 0.93 PTAFR (0.52) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9668939 0.93 PTAFR (0.52) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9669732 0.92 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9669731 0.92 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 — — US disclosed
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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