SCHEMBL9865440

SCHEMBL9865440

CC(SCCN=C(N)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HRH2 P25021 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9771039 0.88 EBP (0.55) EBPSIGMAR1HRH4HRH3
SCHEMBL9866282 0.84 EBP (0.52) EBPSIGMAR1
SCHEMBL9828417 0.83 KDM1A (0.47)
SCHEMBL9865283 0.83 SCN5A (0.36) EBPSIGMAR1HRH2HRH4
SCHEMBL9865287 0.83 SCN5A (0.36) EBPSIGMAR1HRH2HRH4
SCHEMBL9828132 0.83 KDM1A (0.44)
SCHEMBL9865151 0.83 EBP (0.41) EBPSIGMAR1HRH2HRH4HRH3
SCHEMBL9865431 0.82 EPHX2 (0.33)
SCHEMBL9867504 0.80 HRH4 (0.40) EBPSIGMAR1HRH2HRH4HRH3
SCHEMBL7433411 0.79

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP claimed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP claimed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed