SCHEMBL9030439

SCHEMBL9030439

O=C(CCCNC(=S)Nc1ccc2c(c1)OCO2)NCCCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL30291006 1.00 HRH2 (0.57) HRH2HRH3
SCHEMBL9029681 0.99 HRH2 (0.56) HRH2HRH3
SCHEMBL9030602 0.97 HRH2 (0.55) HRH2HRH3
SCHEMBL9031184 0.95 HRH2 (0.57) HRH2HRH3
SCHEMBL9030510 0.90 HRH2 (0.48) HRH2HRH3
SCHEMBL9030329 0.89 HRH2 (0.57) HRH2HRH3
SCHEMBL9515110 0.87
SCHEMBL9358134 0.87 FAAH (0.62) HRH2HRH3
SCHEMBL9030771 0.87 QPCT (0.46) HRH2HRH3
SCHEMBL9362356 0.86 HRH2 (0.59) HRH2HRH3

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 3 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
US-5214053-A THIOUREA DERIVATIVES AND ANTIMICROBIAL AGENT AND ANTIULCER AGENT CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1993-05-25 US disclosed
EP-0531228-A1 Thiourea derivatives, antimicrobial agent and antiulcer agent containing the same TERUMO KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed