SCHEMBL8880331

SCHEMBL8880331

CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.81
CYP3A4 P08684 1/20 0.81
CHRM2 P08172 1/20 0.81
CHRM4 P08173 1/20 0.81
CHRM1 P11229 1/20 0.81
CHRM3 P20309 1/20 0.81
MAPK1 P28482 1/20 0.81

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
SCHEMBL10391184 0.98 CYP1A2 (0.78) CYP1A2CYP3A4CHRM2CHRM4CHRM1
SCHEMBL10391189 0.98 CYP1A2 (0.78) CYP1A2CYP3A4CHRM2CHRM4CHRM1
SCHEMBL10390853 0.94 CYP1A2 (0.81) CYP1A2CYP3A4CHRM2CHRM4CHRM1
SCHEMBL10391321 0.93 CYP1A2 (0.70) CYP1A2CYP3A4CHRM2CHRM4CHRM1
SCHEMBL10391203 0.92 CYP1A2 (0.69) CYP1A2CYP3A4CHRM2CHRM4CHRM1
SCHEMBL10391181 0.92 CYP1A2 (0.83) CYP1A2CYP3A4CHRM2CHRM4CHRM1
SCHEMBL10390865 0.92 CYP1A2 (0.83) CYP1A2CYP3A4CHRM2CHRM4CHRM1
Otenzepad SCHEMBL24305002 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CHRM2CHRM4CHRM1
Otenzepad SCHEMBL341879 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CHRM2CHRM4CHRM1
Otenzepad SCHEMBL29363384 0.90 CYP1A2 (1.00) CYP1A2CYP3A4CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254955-B1 Substituted pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1992-05-27 EP claimed
US-4971966-A BRADYCARDIAL, CARDIOVASCULAR DISORDERS KARL THOMAE GMBH (DE) 1990-11-20 US claimed
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-B1 Condensed diazepinones, process for their preparation and compositions containing them for the treatment of the central nervous system and to enhance cerebral perfusion THOMAE GMBH DR K (DE) 1996-07-03 EP 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-0254955-B1 Substituted pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed
US-4971966-A BRADYCARDIAL, CARDIOVASCULAR DISORDERS KARL THOMAE GMBH (DE) 1990-11-20 US disclosed