SCHEMBL7478400

SCHEMBL7478400

COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3OC=C2CCl)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.68
HTR7 P34969 3/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
ALOX12 P18054 1/20 0.68
ADRA1D P25100 1/20 0.68
ADRA1A P35348 1/20 0.68
ADRA1B P35368 1/20 0.68
HIF1A Q16665 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 1/20 0.67
GLA P06280 1/20 0.67
HPGD P15428 1/20 0.67
DRD2 P14416 7/20 0.65
DRD3 P35462 5/20 0.65
HTR2A P28223 2/20 0.60
HTR6 P50406 1/20 0.60

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
SCHEMBL7471055 0.89 HTR1A (0.70) HTR1AHTR7ALDH1A1MEN1KMT2A
Nan-190 SCHEMBL30080779 0.82 HTR1A (1.00) HTR1AHTR7ALDH1A1MEN1KMT2A
Nan-190 SCHEMBL2231820 0.82 HTR1A (1.00) HTR1AHTR7ALDH1A1MEN1KMT2A
Nan-190 SCHEMBL29389115 0.82 HTR1A (1.00) HTR1AHTR7ALDH1A1MEN1KMT2A
SCHEMBL7472264 0.81 DRD2 (0.61) HTR1AHTR7ALDH1A1MEN1KMT2A
SCHEMBL7467334 0.81 HTR1A (0.65) HTR1AHTR7ALDH1A1CYP2D6ADRA1D
SCHEMBL14761599 0.81 HTR1A (0.98) HTR1AHTR7ALDH1A1MEN1KMT2A
Nan-190 SCHEMBL4083153 0.81 ALDH1A1 (1.00) HTR1AHTR7ALDH1A1MEN1KMT2A
Nan-190 SCHEMBL29390376 0.81 ALDH1A1 (1.00) HTR1AHTR7ALDH1A1MEN1KMT2A
SCHEMBL7475344 0.80 HTR1A (0.63) HTR1AHTR7ALDH1A1MEN1KMT2A

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