SCHEMBL9867644

SCHEMBL9867644

O=C(NC(=NCCSCc1ccccc1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.45
SCN2A Q99250 2/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HRH2 P25021 4/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
F10 P00742 1/20 0.35
MTNR1B P49286 1/20 0.35
ALOX12 P18054 1/20 0.34
EPHX2 P34913 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
SCHEMBL9867640 1.00 SCN5A (0.45) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9867007 0.95 SCN5A (0.40) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9866000 0.94 SCN5A (0.50) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9865901 0.94 HPGD (0.40) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9866007 0.94 SCN5A (0.50) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9865896 0.94 HPGD (0.40) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9867649 0.93 LMNA (0.49) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9865153 0.93 ALDH1A1 (0.44) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL9865157 0.93 ALDH1A1 (0.44) SCN5ASCN2ALMNASMN1; SMN2HRH2
SCHEMBL7433578 0.93 EPHX2 (0.43) SCN5ASCN2ALMNASMN1; SMN2HRH2

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