SCHEMBL9253464

SCHEMBL9253464

O=C(NCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)[C@@H]1CSC(c2cccnc2)N1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 7/20 0.55
▸ DRD2 P14416 6/20 0.55
▸ PTAFR P25105 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HRH1 P35367 3/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ TEK Q02763 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9253469 1.00 DRD3 (0.55) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9253460 1.00 DRD3 (0.55) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9668939 0.95 PTAFR (0.52) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9668934 0.95 PTAFR (0.52) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9668942 0.95 PTAFR (0.52) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9669731 0.95 PTAFR (0.59) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9669732 0.95 PTAFR (0.59) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9258675 0.93 PTAFR (0.59) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9258677 0.93 PTAFR (0.59) DRD3DRD2PTAFRKDM4EALDH1A1
SCHEMBL9668558 0.90 PTAFR (0.56) DRD3DRD2PTAFRKDM4EALDH1A1

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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