SCHEMBL9253939

SCHEMBL9253939

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ DRD2 P14416 3/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42

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
SCHEMBL9253936 1.00 PTAFR (0.53) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9253997 0.98 PTAFR (0.52) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9253986 0.98 PTAFR (0.52) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9667466 0.97 PTAFR (0.51) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9249446 0.97 PTAFR (0.51) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9258510 0.95 PTAFR (0.50) PTAFRKDM4EALDH1A1
SCHEMBL9258514 0.95 PTAFR (0.50) PTAFRKDM4EALDH1A1
SCHEMBL9669731 0.93 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9669732 0.93 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9258677 0.90 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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