SCHEMBL7474249

SCHEMBL7474249

COCC1=COc2cc(C)ccc2C(=O)N1CCCCN1CCCC(c2cccc(Cl)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.34
DRD4 P21917 2/20 0.33
HTR7 P34969 2/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1A P08908 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 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
SCHEMBL7470062 0.85 HTR1A (0.36) DRD2HTR1A
SCHEMBL7469261 0.84 HTR4 (0.37) HTR4DRD4HTR7DRD3DRD2
SCHEMBL7473223 0.83 HTR1A (0.41) DRD2HTR1A
SCHEMBL7471020 0.83 DRD4 (0.49) DRD4HTR7DRD3DRD2HTR1A
SCHEMBL7471492 0.81 HTR1A (0.37) HTR4HTR7DRD3DRD2HTR1A
SCHEMBL7466537 0.80 HTR7 (0.40) HTR4HTR7DRD3HTR1AHRH1
SCHEMBL7470708 0.80 DRD4 (0.40) DRD4HTR7DRD3DRD2HTR1A
SCHEMBL7469498 0.79 CYP11B2 (0.37) HTR4DRD4DRD3DRD2HTR1A
SCHEMBL7470461 0.79 HTR1A (0.39) DRD4HTR7DRD3DRD2HTR1A
SCHEMBL7473410 0.78 DRD2 (0.36) DRD4DRD3DRD2HTR1A

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