SCHEMBL7473722

SCHEMBL7473722

O=C1c2ccc(Cl)cc2OC=C(CCl)N1CCCCN1CCC(c2ncccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
HTR2A P28223 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A4 P31645 1/20 0.39
THRB P10828 1/20 0.38
KMT2A Q03164 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
SCHEMBL7472225 0.91 HTR1A (0.41) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL7476277 0.91 THRB (0.38) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL7473788 0.88 HTR1A (0.40) HTR1A
SCHEMBL7469852 0.85 HTR1A (0.55) HTR1AHTR2ADRD2HTR7
SCHEMBL7468959 0.83 THRB (0.40) HTR1ADRD4HTR7DRD3THRB
SCHEMBL7467381 0.83 HTR1A (0.40) HTR1A
SCHEMBL7471767 0.82 HTR1A (0.39) HTR1AHTR2ADRD2DRD4DRD3
SCHEMBL7470809 0.81 HTR1A (0.46) HTR1A
SCHEMBL6168817 0.81 DRD4 (0.43) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL7473410 0.80 DRD2 (0.36) HTR1AHTR2ADRD2DRD4DRD3

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