SCHEMBL7473438

SCHEMBL7473438

CC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCCC(c2ncccn2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL7476895 0.93 DRD3 (0.37) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL7466746 0.92 MEN1 (0.37) MEN1KMT2AHTR1AHTR7HRH1
SCHEMBL7472828 0.91 HTR1A (0.37) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL7463900 0.85 DRD3 (0.36) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL7469636 0.83 HTR1A (0.39) HTR1ADRD3
SCHEMBL7470608 0.82 DRD2 (0.49) HTR1ADRD3
SCHEMBL7474965 0.81 DRD2 (0.48) HTR1ADRD3
SCHEMBL7475072 0.81 DRD2 (0.42) HTR1A
SCHEMBL7472209 0.81 HTR1A (0.41) HTR1A
SCHEMBL7471009 0.81 DRD4 (0.41) HTR1ADRD3

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
EP-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed