SCHEMBL8880652

SCHEMBL8880652

CN(CCCC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1)C(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.64
CHRM1 P11229 3/20 0.64
CHRM4 P08173 2/20 0.64
CHRM5 P08912 2/20 0.64
CHRM3 P20309 2/20 0.64
ALOX15 P16050 1/20 0.64
DRD1 P21728 1/20 0.64
DRD5 P21918 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
GMNN O75496 1/20 0.56
APEX1 P27695 1/20 0.56

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
Hydrochloric Acid SCHEMBL9728100 0.98 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL8882008 0.92 CHRM2 (0.67) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9728501 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10516512 0.88 CHRM2 (0.64) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9728084 0.87 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL8879900 0.87 CHRM2 (0.74) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10516500 0.86 CHRM2 (0.62) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9728115 0.85 CHRM2 (0.64) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10508711 0.85 CHRM2 (0.68) CHRM2CHRM1CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL9728107 0.84 CHRM2 (0.57) CHRM2CHRM1CHRM4CHRM5CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641772-A Condensed diazepinones, processes for preparing them and agents containing these compounds for treating diseases of the central nervous system and for promoting cerebral blood circulation DR. KARL THOMAE GMBH (DE) 1997-06-24 US disclosed
US-5610155-A ALZHEIMER'S DR. KARL THOMAE GMBH (DE) 1997-03-11 US disclosed
EP-0508370-A1 Condensed diazepinones, process for their preparation and compositions containing them for the treatment of the central nervous system and to enhance cerebral perfusion Dr. Karl Thomae GmbH (DE) 1992-10-14 EP disclosed
EP-0312895-A2 Condensed diazepinones, process for their preparation and medicament containing them Dr. Karl Thomae GmbH (DE) 1989-04-26 EP disclosed