SCHEMBL9865894

SCHEMBL9865894

O=C(NC(=NCCCOc1ccccc1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.45
SCN2A Q99250 4/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH2 P25021 3/20 0.40
CACNA1H O95180 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL9865887 1.00 SCN5A (0.45) SCN5ASCN2ANPC1RAB9AHPGD
SCHEMBL9865905 0.96 NPC1 (0.46) SCN5ASCN2ANPC1RAB9AHPGD
SCHEMBL9865122 0.96 SCN5A (0.44) SCN5ASCN2ANPC1RAB9AHPGD
SCHEMBL9865114 0.96 SCN5A (0.44) SCN5ASCN2ANPC1RAB9AHPGD
SCHEMBL9865129 0.94 NPC1 (0.48) SCN5ASCN2ANPC1RAB9AHPGD
SCHEMBL11080973 0.91 HRH2 (0.43) SCN5ASCN2ANPC1RAB9AHRH2
SCHEMBL11080965 0.91 HRH2 (0.43) SCN5ASCN2ANPC1RAB9AHRH2
SCHEMBL11080978 0.89 HRH2 (0.47) SCN5ASCN2ANPC1RAB9AHRH2
SCHEMBL9866817 0.88 HRH2 (0.52) SCN5ASCN2ANPC1RAB9AHRH2
SCHEMBL9866822 0.88 HRH2 (0.52) SCN5ASCN2ANPC1RAB9AHRH2

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