SCHEMBL9668961

SCHEMBL9668961

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TBXAS1 P24557 3/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9257611 1.00 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9257616 1.00 PTAFR (0.57) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9256732 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9256729 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9247293 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9256730 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9247292 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9256735 0.97 PTAFR (0.56) PTAFRKDM4EALDH1A1TBXAS1HTR1A
SCHEMBL9256693 0.95 PTAFR (0.54) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9256690 0.95 PTAFR (0.54) PTAFRKDM4EALDH1A1TBXAS1

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
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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