SCHEMBL7469396

SCHEMBL7469396

O=C1c2ccc(Cl)cc2OC=C(CCl)N1CCCCN1CCC=C(c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
HTR1A P08908 3/20 0.36
DRD4 P21917 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR7 P34969 3/20 0.36
DRD3 P35462 2/20 0.36
SLC6A4 P31645 1/20 0.36
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7463230 0.91 THRB (0.36) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7475313 0.90 DRD2 (0.37) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7477128 0.85 THRB (0.37) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7476081 0.84 SIGMAR1 (0.39)
SCHEMBL7461529 0.84 THRB (0.38) HTR1ATHRBKMT2A
SCHEMBL7473664 0.84 HTR1A (0.40) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL7469014 0.82 HTR1A (0.40) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL7466512 0.82 DRD2 (0.37) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7477689 0.82 DRD2 (0.36) DRD2HTR1A
SCHEMBL7470535 0.82 DRD2 (0.35) DRD2HTR1A

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