SCHEMBL7469501

SCHEMBL7469501

COc1cncc(C2CCN(CCCCN3C(=O)c4cc(Cl)ccc4OC=C3CCl)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR4 Q13639 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7475120 0.90 DRD2 (0.39) DRD2HTR1A
SCHEMBL7475935 0.85 HTR1A (0.39) DRD2HTR1A
SCHEMBL7469498 0.79 CYP11B2 (0.37) HTR4DRD2DRD3HTR1AKCNH2
SCHEMBL7473267 0.77 DRD2 (0.48) DRD2DRD3HTR1A
SCHEMBL7461525 0.76 HTR2A (0.30) HTR4
SCHEMBL7467381 0.75 HTR1A (0.40) HTR1A
SCHEMBL7469669 0.74 HTR1A (0.55) DRD2HTR1AKCNH2
SCHEMBL7463338 0.74 DRD4 (0.46) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7467437 0.73 CCNT1 (0.35) HTR4DRD2DRD3HTR1A
SCHEMBL7469345 0.73 DRD2 (0.33) HTR4DRD2HTR1AKCNH2

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