SCHEMBL7477239

SCHEMBL7477239

COCC1=COc2ccc(OC)cc2C(=O)N1CCCCN1CCC(c2ncnc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
HTR1A P08908 5/20 0.38
HTR2A P28223 3/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC3 O15379 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
HDAC4 P56524 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
HDAC1 Q13547 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL7473425 0.85 HTR1A (0.40) HTR1A
SCHEMBL7477244 0.81 HTR1A (0.39) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7470461 0.80 HTR1A (0.39) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7472739 0.79 DRD2 (0.48) DRD2HTR1A
SCHEMBL7477277 0.79 DRD2 (0.36) DRD2HTR1AHTR2A
SCHEMBL7478658 0.78 HRH4 (0.40) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7464590 0.78 HTR1A (0.39) DRD2HTR1A
SCHEMBL7475537 0.77 HTR1A (0.41) HTR1A
SCHEMBL7467381 0.77 HTR1A (0.40) HTR1A
SCHEMBL7473267 0.76 DRD2 (0.48) DRD2HTR1A

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