SCHEMBL7465959

SCHEMBL7465959

COc1ccccc1N1CCN(CCCCN2C=COc3ccccc3C2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.64
HTR1A P08908 5/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
ALOX12 P18054 1/20 0.64
ADRA1D P25100 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.62
GLA P06280 1/20 0.62
HPGD P15428 1/20 0.62
DRD2 P14416 12/20 0.61
DRD3 P35462 9/20 0.61
DRD5 P21918 2/20 0.58
DRD4 P21917 2/20 0.57

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
SCHEMBL7464961 0.83 HTR1A (0.60) HTR7HTR1ACYP2D6DRD2DRD3
SCHEMBL7471055 0.80 HTR1A (0.70) HTR7HTR1AALDH1A1MEN1KMT2A
SCHEMBL9049703 0.80 DRD3 (0.69) HTR7HTR1AALDH1A1MEN1KMT2A
SCHEMBL7470730 0.79 HTR1A (0.42) HTR7HTR1AALDH1A1MEN1KMT2A
SCHEMBL7470315 0.79 HTR1A (0.61) HTR7HTR1AALDH1A1CYP2D6ADRA1D
SCHEMBL7478400 0.79 HTR1A (0.68) HTR7HTR1AALDH1A1MEN1KMT2A
SCHEMBL7670715 0.78 KCNH2 (0.56) HTR7HTR1ADRD2DRD3HTR2A
Nan-190 SCHEMBL29389115 0.78 HTR1A (1.00) HTR7HTR1AALDH1A1MEN1KMT2A
Nan-190 SCHEMBL2231820 0.78 HTR1A (1.00) HTR7HTR1AALDH1A1MEN1KMT2A
Nan-190 SCHEMBL30080779 0.78 HTR1A (1.00) HTR7HTR1AALDH1A1MEN1KMT2A

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