SCHEMBL9257133

SCHEMBL9257133

O=C(NCCN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccccn2)CC1)[C@@H]1CSC(c2cccnc2)N1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.45
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP3A5 P20815 2/20 0.40

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
SCHEMBL9257138 1.00 PTAFR (0.45) PTAFRFNTAFNTBKDM4EALDH1A1
SCHEMBL9255753 0.92 PTAFR (0.47) PTAFRFNTAFNTBKDM4EALDH1A1
SCHEMBL9255760 0.92 PTAFR (0.47) PTAFRFNTAFNTBKDM4EALDH1A1
SCHEMBL9249899 0.88 PTAFR (0.54) PTAFRFNTAFNTBKDM4EALDH1A1
SCHEMBL9249896 0.88 PTAFR (0.54) PTAFRFNTAFNTBKDM4EALDH1A1
SCHEMBL9668562 0.85 PTAFR (0.56) PTAFRKDM4EALDH1A1
SCHEMBL9668558 0.85 PTAFR (0.56) PTAFRKDM4EALDH1A1
SCHEMBL9259448 0.84 PTAFR (0.54) PTAFRKDM4EALDH1A1
SCHEMBL9259452 0.84 PTAFR (0.54) PTAFRKDM4EALDH1A1
SCHEMBL9258510 0.84 PTAFR (0.50) PTAFRKDM4EALDH1A1

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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