SCHEMBL9370355

SCHEMBL9370355

O=C1COc2cc(Cl)ccc2C(=O)N1CCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2A P28223 3/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL9377218 0.90 POLB (0.50) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL9369796 0.89 HTR1A (0.49) L3MBTL1CYP1A2CYP2C9HTR2AHTR1A
SCHEMBL9375302 0.88 HTR2A (0.46) HTR2AHTR1ADRD2DRD4HTR2C
SCHEMBL9377061 0.86 HTR2A (0.44) HTR2AHTR1ADRD2DRD4HTR2C
SCHEMBL9373402 0.84 DRD2 (0.49) HTR2AHTR1ADRD2HTR7
SCHEMBL9375582 0.84 HTR1A (0.58) HTR2AHTR1ADRD2DRD4HTR7
SCHEMBL9369481 0.83 L3MBTL1 (0.47) LMNAMAPTHTTL3MBTL1CYP1A2
SCHEMBL9369094 0.83 HTR1A (0.59) HTR2AHTR1ADRD2DRD4HTR2C
SCHEMBL9369887 0.80 DRD2 (0.45) HTR2AHTR1ADRD2MCHR1
SCHEMBL9370385 0.78 DRD2 (0.53) HTR2AHTR1ADRD2DRD4DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376633-B1 Benzoxazepine derivatives SUNTORY LTD (JP) 1994-10-12 EP disclosed
EP-0376633-A2 Benzoxazepine derivatives SUNTORY LIMITED (JP) 1990-07-04 EP disclosed