SCHEMBL9250253

SCHEMBL9250253

O=C(NCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)[C@@H]1CSC(c2cccnc2)N1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HRH1 P35367 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP2J2 P51589 3/20 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
SCHEMBL9250246 1.00 PTAFR (0.56) PTAFRKDM4EALDH1A1HRH1KCNH2
SCHEMBL9278556 0.88 PTAFR (0.47) PTAFRKDM4EALDH1A1
SCHEMBL9257039 0.84 PTAFR (0.56) PTAFRKDM4EALDH1A1
SCHEMBL9257047 0.84 PTAFR (0.56) PTAFRKDM4EALDH1A1
SCHEMBL9668961 0.81 PTAFR (0.57) PTAFRKDM4EALDH1A1
SCHEMBL9669732 0.81 PTAFR (0.59) PTAFRKDM4EALDH1A1
SCHEMBL9669731 0.81 PTAFR (0.59) PTAFRKDM4EALDH1A1
SCHEMBL9257611 0.81 PTAFR (0.57) PTAFRKDM4EALDH1A1
SCHEMBL9257616 0.81 PTAFR (0.57) PTAFRKDM4EALDH1A1
SCHEMBL9258677 0.79 PTAFR (0.59) 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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