SCHEMBL9865989

SCHEMBL9865989

NC(=NCCSc1ccccn1)NCCCc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HPGD P15428 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
SCHEMBL9866660 0.95 NPY1R (0.37)
SCHEMBL9865151 0.87 EBP (0.41) EBPSIGMAR1HRH4HRH3
SCHEMBL7180743 0.86 HRH2 (0.37) EBPSIGMAR1HRH4HRH3
SCHEMBL7287614 0.85 HRH2 (0.47) HRH4
SCHEMBL7287548 0.85 HRH2 (0.47) HRH4
SCHEMBL9867504 0.82 HRH4 (0.40) EBPSIGMAR1HRH4HRH3
SCHEMBL9877143 0.81 HPGD (0.37) EBPSIGMAR1NPC1RAB9AHRH4
Gapromidine SCHEMBL10372400 0.81 CYP1A2 (0.40) HRH4HRH3
SCHEMBL9865750 0.81 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53HRH4
SCHEMBL9866282 0.81 EBP (0.52) EBPSIGMAR1

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 2 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-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed