SCHEMBL9867306

SCHEMBL9867306

CC(COc1ccccc1)NC(=NCCCc1c[nH]cn1)NC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SCN5A Q14524 6/20 0.39
SCN2A Q99250 6/20 0.39
ALDH1A1 P00352 1/20 0.35
KAT6A Q92794 1/20 0.34
HRH2 P25021 1/20 0.34
HCAR2 Q8TDS4 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
SCHEMBL9865552 0.85 ADRB1 (0.40) SCN5ASCN2AALDH1A1
SCHEMBL9865576 0.85 ADRB1 (0.40) SCN5ASCN2AALDH1A1
SCHEMBL9866370 0.83 HPGD (0.38) SCN5ASCN2AHRH2
SCHEMBL9865905 0.82 NPC1 (0.46) SCN5ASCN2AHRH2
SCHEMBL9865129 0.82 NPC1 (0.48) MTNR1AMTNR1BSCN5ASCN2AHRH2
SCHEMBL9864992 0.81 HRH2 (0.40) ALDH1A1HRH2
SCHEMBL9865894 0.80 SCN5A (0.45) SCN5ASCN2AHRH2
SCHEMBL9865887 0.80 SCN5A (0.45) SCN5ASCN2AHRH2
SCHEMBL9867294 0.80 POLB (0.38) MTNR1AMTNR1BSCN5ASCN2AKAT6A
SCHEMBL9867300 0.80 POLB (0.38) MTNR1AMTNR1BSCN5ASCN2AKAT6A

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