SCHEMBL9866987

SCHEMBL9866987

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RAB9A P51151 2/20 0.35
HRH2 P25021 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9866993 0.94 HRH2 (0.36) RAB9AHRH2HRH4
SCHEMBL9866702 0.89 SCN5A (0.42) EBPSIGMAR1RAB9AHRH2SCN5A
SCHEMBL9866696 0.89 SCN5A (0.42) EBPSIGMAR1RAB9AHRH2SCN5A
SCHEMBL9865299 0.88 RAB9A (0.38) RAB9A
SCHEMBL9866163 0.87 RAB9A (0.37) RAB9A
SCHEMBL9865287 0.86 SCN5A (0.36) EBPSIGMAR1RAB9AHRH2SCN5A
SCHEMBL9865283 0.86 SCN5A (0.36) EBPSIGMAR1RAB9AHRH2SCN5A
SCHEMBL9866078 0.85 EPHX2 (0.39)
SCHEMBL9865305 0.84 NPY1R (0.41)
SCHEMBL9865750 0.84 RAB9A (0.43) RAB9AHRH2SCN5ASCN2AHRH4

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