SCHEMBL7469345

SCHEMBL7469345

COCC1=COc2ccc(Cl)cc2C(=O)N1CCCCN1CCC(c2ncc(F)c(N)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
HTR4 Q13639 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP3K12 Q12852 1/20 0.32
KCNH2 Q12809 2/20 0.32
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL7477136 0.79 HTR1A (0.41) DRD2HTR1A
SCHEMBL7465127 0.77 HTR1A (0.36) DRD2HTR1A
SCHEMBL7471075 0.77 S1PR1 (0.31)
SCHEMBL7469706 0.76 DRD2 (0.34) DRD2HTR1A
SCHEMBL7470427 0.75 ADORA2A (0.35)
SCHEMBL7477005 0.75 HTR1A (0.41) DRD2HTR1A
SCHEMBL7469040 0.75 DRD4 (0.50) DRD2HTR1ASLC6A4
SCHEMBL7470062 0.74 HTR1A (0.36) DRD2HTR1A
SCHEMBL7469328 0.74 HTR1A (0.37) HTR1A
SCHEMBL7469501 0.73 ADRA1D (0.33) DRD2HTR4KCNH2HTR1A

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