SCHEMBL9865178

SCHEMBL9865178

O=C(N/C(=N\CCOCc1ccccc1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.41
SCN5A Q14524 2/20 0.39
SCN2A Q99250 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ACHE P22303 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
SCHEMBL9865187 1.00 HRH2 (0.41) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9865196 0.93 HRH2 (0.41) HRH2SCN5ASCN2AHRH4SMN1; SMN2
SCHEMBL9865122 0.88 SCN5A (0.44) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9865114 0.88 SCN5A (0.44) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9866822 0.88 HRH2 (0.52) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9867162 0.88 HRH2 (0.52) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9866817 0.88 HRH2 (0.52) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9867137 0.87 HRH2 (0.49) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL9865344 0.87 HRH2 (0.49) HRH2SCN5ASCN2ANPC1RAB9A
SCHEMBL11080973 0.86 HRH2 (0.43) HRH2SCN5ASCN2ANPC1RAB9A

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-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed