SCHEMBL9865115

SCHEMBL9865115

NC(=NCCCc1c[nH]cn1)NCCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
HTR3A P46098 1/20 0.36

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
SCHEMBL9867126 0.86 HRH4 (0.47) HRH4HRH3HTR3A
SCHEMBL7430491 0.83 EBP (0.40)
SCHEMBL9866256 0.83 HRH4 (0.47) HRH4HRH3HTR3A
SCHEMBL9867357 0.82 SCN5A (0.43) HRH4HRH3
SCHEMBL9865196 0.82 HRH2 (0.41) HRH4SMN1; SMN2LMNAHTT
SCHEMBL9865107 0.81 SMN1; SMN2 (0.40) HRH4HRH3SMN1; SMN2LMNAHTT
SCHEMBL7433411 0.80
Iodide SCHEMBL10369053 0.80 SMN1; SMN2 (0.40) HRH4HRH3SMN1; SMN2LMNAHTT
SCHEMBL9865960 0.80 SCN5A (0.42) HRH4HRH3
SCHEMBL11039972 0.79 GRIN2D (0.41) HRH4HRH3

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
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