SCHEMBL7470608

SCHEMBL7470608

CC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCC(c2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
DRD4 P21917 5/20 0.49
DRD3 P35462 4/20 0.49
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR1A P08908 1/20 0.39

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
SCHEMBL7474965 0.99 DRD2 (0.48) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7473618 0.91 DRD2 (0.42) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7477034 0.90 DRD2 (0.50) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7463338 0.90 DRD4 (0.46) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7464496 0.89 ADRA1D (0.45) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7471727 0.83 DRD4 (0.43) DRD2DRD4DRD3HTR1A
SCHEMBL7469636 0.83 HTR1A (0.39) DRD2DRD4DRD3HTR1A
SCHEMBL7473438 0.82 MEN1 (0.37) DRD3HTR1A
SCHEMBL6169077 0.81 HTR1A (0.44) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7464604 0.81 HTR1A (0.57) DRD2DRD4HTR1A

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