SCHEMBL7469669

SCHEMBL7469669

O=C1c2cc(Cl)ccc2OC=C(CCl)N1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.55
HTR7 P34969 3/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR6 P50406 2/20 0.47
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7669771 0.80 KCNH2 (0.54) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7469317 0.80 HTR1A (0.56) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7469852 0.79 HTR1A (0.55) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7476863 0.77 KCNH2 (0.51) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7469040 0.77 DRD4 (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7467334 0.77 HTR1A (0.65) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7469705 0.77 HTR1A (0.58) HTR1AHTR7KCNH2
SCHEMBL7463415 0.77 HTR1A (0.59) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7471468 0.77 HTR1A (0.60) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7461529 0.76 THRB (0.38) HTR1A

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