SCHEMBL9249258

SCHEMBL9249258

O=C(NCCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)[C@@H]1CSC(c2cccnc2)N1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.46
▸ BCHE P06276 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL9249252 1.00 PTAFR (0.48) PTAFRSLC6A3BCHEKDM4EALDH1A1
SCHEMBL9668575 0.95 SLC6A3 (0.49) PTAFRSLC6A3BCHEKDM4EALDH1A1
SCHEMBL9668567 0.95 SLC6A3 (0.49) PTAFRSLC6A3BCHEKDM4EALDH1A1
SCHEMBL9253936 0.86 PTAFR (0.53) PTAFRKDM4EALDH1A1
SCHEMBL9253939 0.86 PTAFR (0.53) PTAFRKDM4EALDH1A1
SCHEMBL9253986 0.83 PTAFR (0.52) PTAFRKDM4EALDH1A1
SCHEMBL9253997 0.83 PTAFR (0.52) PTAFRKDM4EALDH1A1
SCHEMBL9667466 0.83 PTAFR (0.51) PTAFRKDM4EALDH1A1
SCHEMBL9249446 0.83 PTAFR (0.51) PTAFRKDM4EALDH1A1
SCHEMBL9249240 0.81 PTAFR (0.51) 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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