SCHEMBL9255760

SCHEMBL9255760

O=C(NCCN1CCN(C(c2ccc(F)cc2)c2ccccn2)CC1)C1CSC(c2cccnc2)N1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 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
SCHEMBL9255753 1.00 PTAFR (0.47) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9258514 0.92 PTAFR (0.50) PTAFRKDM4EALDH1A1
SCHEMBL9258510 0.92 PTAFR (0.50) PTAFRKDM4EALDH1A1
SCHEMBL9257138 0.92 PTAFR (0.45) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9257133 0.92 PTAFR (0.45) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9249899 0.89 PTAFR (0.54) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9249896 0.89 PTAFR (0.54) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9253936 0.88 PTAFR (0.53) PTAFRKDM4EALDH1A1
SCHEMBL9253939 0.88 PTAFR (0.53) PTAFRKDM4EALDH1A1
SCHEMBL9253997 0.87 PTAFR (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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