SCHEMBL9030771

SCHEMBL9030771

O=C(CCCNC(=S)Nc1ccc2c(c1)OCO2)NCCCOc1cc(CN2CCCCC2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43
CACNA1G O43497 1/20 0.42
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
FAAH O00519 2/20 0.41

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
SCHEMBL9030439 0.87 HRH2 (0.57) HRH2HRH3
SCHEMBL30291006 0.87 HRH2 (0.57) HRH2HRH3
SCHEMBL9029681 0.86 HRH2 (0.56) ALDH1A1MAPTHRH2HRH3
SCHEMBL9030602 0.84 HRH2 (0.55) HRH2HRH3
SCHEMBL9031184 0.82 HRH2 (0.57) HRH2HRH3
SCHEMBL9030510 0.78 HRH2 (0.48) ALDH1A1MAPTKDM4EGAAHRH2
SCHEMBL9030329 0.76 HRH2 (0.57) HRH2HRH3
SCHEMBL8921356 0.76 HRH2 (0.54) ALDH1A1KDM4EHRH2HRH3
SCHEMBL8919510 0.73 HRH2 (0.51) ALDH1A1KDM4EHRH2HRH3
SCHEMBL9515110 0.73

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
EP-0531228-B1 Thiourea derivatives, antimicrobial agent and antiulcer agent containing the same TERUMO CORP (JP) 1996-02-28 EP disclosed
EP-0531228-A1 Thiourea derivatives, antimicrobial agent and antiulcer agent containing the same TERUMO KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed