SCHEMBL7470345

SCHEMBL7470345

CC1=COc2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.66
HTR7 P34969 2/20 0.54
DRD2 P14416 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7471273 0.89 HTR1A (0.58) HTR1AHTR7
SCHEMBL7469705 0.89 HTR1A (0.58) HTR1AHTR7
SCHEMBL7469317 0.88 HTR1A (0.56) HTR1AHTR7DRD2
SCHEMBL7467468 0.86 HTR1A (0.68) HTR1AHTR7DRD2DRD3
SCHEMBL7470178 0.85 HTR1A (0.60) HTR1AHTR7DRD2DRD3
SCHEMBL7471468 0.84 HTR1A (0.60) HTR1AHTR7DRD2MAPTMAPK1
SCHEMBL7476360 0.83 HTR1A (0.50) HTR1AHTR7DRD2DRD3
SCHEMBL7469710 0.82 KCNH2 (0.57) HTR1AHTR7DRD2DRD3
SCHEMBL3029003 0.80 HTR1A (1.00) HTR1AHTR7
SCHEMBL7466197 0.80 HTR1A (0.57) HTR1AHTR7

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