SCHEMBL7469271

SCHEMBL7469271

O=C1c2cc(Cl)ccc2OC=C(Cl)N1CCCCN1CCCC(c2ccccn2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.46
THRB P10828 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL7466661 0.93 DRD4 (0.46) DRD4HSD11B1HTR1AHTR7DRD3
SCHEMBL7469687 0.92 DRD4 (0.44) DRD4HTR1AHTR7DRD3HRH1
SCHEMBL7471727 0.90 DRD4 (0.43) DRD4HTR1AHTR7DRD3DRD2
SCHEMBL6168817 0.83 DRD4 (0.43) DRD4HTR1AHTR7DRD3DRD2
SCHEMBL7471893 0.83 HTR1A (0.43) HTR1AHTR7DRD3HRH1HTR2B
SCHEMBL7471020 0.82 DRD4 (0.49) DRD4HTR1AHTR7DRD3DRD2
SCHEMBL7468959 0.82 THRB (0.40) DRD4THRBHTR1AHTR7DRD3
SCHEMBL6169077 0.82 HTR1A (0.44) DRD4HTR1AHTR7DRD2HTR2A
SCHEMBL7466746 0.82 MEN1 (0.37) HTR1AHTR7DRD3HRH1HTR2B
SCHEMBL7471009 0.81 DRD4 (0.41) DRD4HTR1ADRD3DRD2

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