SCHEMBL9369481

SCHEMBL9369481

COc1ccc2c(c1)C(=O)N(CCCCN1CCN(c3ncccc3[N+](=O)[O-])CC1)C(=O)CO2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 5/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
MCHR1 Q99705 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2C19 P33261 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL9374271 0.87 HTR1A (0.46) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9369075 0.87 HTR1A (0.46) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9369796 0.87 HTR1A (0.49) L3MBTL1HTR1ADRD2HTR2AMCHR1
SCHEMBL9375687 0.85 HTR1A (0.55) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9371919 0.85 DRD2 (0.58) ALDH1A1MAPTHTR1ADRD2HTR2A
SCHEMBL9377218 0.85 POLB (0.50) L3MBTL1ALDH1A1LMNADRD2HTR2A
SCHEMBL9371801 0.84 HTR1A (0.54) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9369754 0.83 SIGMAR1 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9370355 0.83 LMNA (0.47) L3MBTL1ALDH1A1LMNAMAPTHTT
SCHEMBL9372262 0.83 SIGMAR1 (0.56) HTR1ADRD2HTR2AHTR7HTR6

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