SCHEMBL7473618

SCHEMBL7473618

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL7470608 0.91 DRD2 (0.49) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7474965 0.90 DRD2 (0.48) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7475072 0.90 DRD2 (0.42) DRD2HTR2A
SCHEMBL7477034 0.88 DRD2 (0.50) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7464496 0.87 ADRA1D (0.45) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7468056 0.86 DRD2 (0.38) DRD2DRD4HTR2A
SCHEMBL7472431 0.85 HTR7 (0.52) DRD2DRD4DRD3HTR2A
SCHEMBL7476756 0.83 HTR1A (0.56) DRD2DRD4DRD3HTR2A
SCHEMBL7472828 0.83 HTR1A (0.37) DRD3
SCHEMBL7471727 0.81 DRD4 (0.43) DRD2DRD4DRD3HTR2A

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