SCHEMBL7473640

SCHEMBL7473640

COc1cncc(N2CCN(CCCCN3C(=O)c4cc(C)ccc4OC=C3C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD3 P35462 1/20 0.41
HTR1A P08908 7/20 0.40
HTR2A P28223 3/20 0.40
HTR6 P50406 3/20 0.40
HTR7 P34969 2/20 0.40
KCNH2 Q12809 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
SCHEMBL7470747 0.93 DRD2 (0.41) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7472277 0.92 DRD2 (0.41) DRD2DRD3HTR1A
SCHEMBL7476960 0.90 HTR1A (0.47) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7466521 0.84 DRD2 (0.39) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7471524 0.82 HTR4 (0.33) DRD2DRD3HTR1AKCNH2
SCHEMBL7469705 0.79 HTR1A (0.58) HTR1AHTR7KCNH2
SCHEMBL7472686 0.79 HTR1A (0.64) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7464604 0.78 HTR1A (0.57) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL7471185 0.77 HTR1A (0.61) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7477530 0.76 HTR1A (0.48) DRD2DRD3HTR1AHTR2AHTR6

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