SCHEMBL9278556

SCHEMBL9278556

O=C(NCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C1CSC(c2cccnc2)N1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9250246 0.88 PTAFR (0.56) PTAFRKDM4EALDH1A1
SCHEMBL9250253 0.88 PTAFR (0.56) PTAFRKDM4EALDH1A1
SCHEMBL9668575 0.82 SLC6A3 (0.49) PTAFRKDM4EALDH1A1
SCHEMBL9668567 0.82 SLC6A3 (0.49) PTAFRKDM4EALDH1A1
SCHEMBL9249978 0.82 PTAFR (0.48) PTAFRKDM4EALDH1A1
SCHEMBL9249976 0.82 PTAFR (0.48) PTAFRKDM4EALDH1A1
SCHEMBL9258514 0.82 PTAFR (0.50) PTAFRKDM4EALDH1A1
SCHEMBL9258510 0.82 PTAFR (0.50) PTAFRKDM4EALDH1A1
SCHEMBL9249258 0.78 PTAFR (0.48) PTAFRKDM4EALDH1A1
SCHEMBL9249252 0.78 PTAFR (0.48) 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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