SCHEMBL9867294

SCHEMBL9867294

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN5A Q14524 2/20 0.37
SCN2A Q99250 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MTNR1B P49286 3/20 0.35
KAT6A Q92794 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MTNR1A P48039 2/20 0.33
TP53 P04637 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL9867300 1.00 POLB (0.38) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9865565 0.85 ADRB1 (0.38) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9866363 0.83 SCN5A (0.39) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL10368107 0.83 SCN5A (0.39) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9865114 0.82 SCN5A (0.44) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9865122 0.82 SCN5A (0.44) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9865887 0.82 SCN5A (0.45) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9865894 0.82 SCN5A (0.45) POLBTDP1SCN5ASCN2ASMN1; SMN2
SCHEMBL9866877 0.82 HRH3 (0.35) HPGDMTNR1BL3MBTL1HRH3MTNR1A
SCHEMBL9864984 0.81 RAB9A (0.42) POLBSCN5ASCN2ASMN1; SMN2RAB9A

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