SCHEMBL9866993

SCHEMBL9866993

O=C(NC(=NCCCc1c[nH]cn1)NCCSC(c1ccccc1)c1ccccn1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.36
RAB9A P51151 1/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL9866987 0.94 EBP (0.36) HRH2RAB9AHRH4
SCHEMBL9866705 0.89 SCN5A (0.40) HRH2HRH4
SCHEMBL9865305 0.88 NPY1R (0.41)
SCHEMBL9866078 0.87 EPHX2 (0.39)
SCHEMBL9865291 0.86 HRH2 (0.36) HRH2HRH4
SCHEMBL9866163 0.85 RAB9A (0.37) RAB9A
SCHEMBL9865299 0.84 RAB9A (0.38) RAB9A
SCHEMBL9865765 0.84 RAB9A (0.47) HRH2RAB9AHRH4
SCHEMBL7297991 0.84 NPY1R (0.39)
SCHEMBL9866425 0.83 RAB9A (0.42) HRH2RAB9AHRH4

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 claimed
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