SCHEMBL7477190

SCHEMBL7477190

O=C1c2ccccc2OC=CN1CCCCN1CC=C(c2ncccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR1A P08908 2/20 0.41
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL7464006 0.90 SIGMAR1 (0.53) DRD2HTR1ASIGMAR1TMEM97DRD4
SCHEMBL7476727 0.90 SIGMAR1 (0.52) DRD2HTR1ASIGMAR1DRD4
SCHEMBL7472531 0.86 SIGMAR1 (0.42) HTR1ASIGMAR1HTR6PARP1
SCHEMBL7477337 0.84 HTR1A (0.36) HTR1AHTR7DRD3
SCHEMBL7475991 0.81 DRD2 (0.48) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL3684227 0.81 DRD2 (0.49) DRD2HTR1ADRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL3680042 0.80 DRD2 (0.51) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7468035 0.79 DRD2 (0.46) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7470315 0.79 HTR1A (0.61) DRD2HTR1ADRD4HTR2AHTR7
SCHEMBL7473374 0.78 SIGMAR1 (0.46) DRD2HTR1ASIGMAR1HTR6PARP1

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