SCHEMBL7470416

SCHEMBL7470416

COc1ccc2c(c1)C(=O)N(CCCCN1CCN(c3ccccc3OC)CC1)C(Cl)=CO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.64
DRD3 P35462 6/20 0.64
HTR1A P08908 5/20 0.63
HTR7 P34969 3/20 0.63
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
ALOX12 P18054 1/20 0.63
ADRA1D P25100 1/20 0.63
ADRA1A P35348 1/20 0.63
ADRA1B P35368 1/20 0.63
HIF1A Q16665 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 1/20 0.62
GLA P06280 1/20 0.62
HPGD P15428 1/20 0.62
HTR2A P28223 1/20 0.56
HTR6 P50406 1/20 0.56

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
SCHEMBL7473153 0.93 DRD2 (0.64) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL7475344 0.91 HTR1A (0.63) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL7471055 0.91 HTR1A (0.70) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL7472264 0.89 DRD2 (0.61) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL7472686 0.83 HTR1A (0.64) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL7478400 0.80 HTR1A (0.68) DRD2DRD3HTR1AHTR7ALDH1A1
Nan-190 SCHEMBL29389115 0.78 HTR1A (1.00) DRD2DRD3HTR1AHTR7ALDH1A1
Nan-190 SCHEMBL2231820 0.78 HTR1A (1.00) DRD2DRD3HTR1AHTR7ALDH1A1
Nan-190 SCHEMBL30080779 0.78 HTR1A (1.00) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL7476626 0.78 HTR1A (0.57) DRD2DRD3HTR1AHTR7HTR2A

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