SCHEMBL9375302

SCHEMBL9375302

O=C1COc2cc(Cl)ccc2C(=O)N1CCCCN1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
DRD2 P14416 3/20 0.46
MCHR1 Q99705 2/20 0.46
HTR1A P08908 3/20 0.45
DRD4 P21917 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL9369887 0.91 DRD2 (0.45) HTR2ADRD2MCHR1HTR1A
SCHEMBL9377061 0.91 HTR2A (0.44) HTR2ADRD2MCHR1HTR1ADRD4
SCHEMBL9370385 0.90 DRD2 (0.53) HTR2ADRD2MCHR1HTR1ADRD4
SCHEMBL9373402 0.89 DRD2 (0.49) HTR2ADRD2HTR1AHTR7
SCHEMBL9375582 0.89 HTR1A (0.58) HTR2ADRD2HTR1ADRD4HTR7
SCHEMBL9370355 0.88 LMNA (0.47) HTR2ADRD2MCHR1HTR1ADRD4
SCHEMBL9369094 0.87 HTR1A (0.59) HTR2ADRD2HTR1ADRD4HTR2C
SCHEMBL9374271 0.84 HTR1A (0.46) HTR2ADRD2MCHR1HTR1AHTR7
SCHEMBL9373729 0.80 DRD2 (0.44) HTR2ADRD2MCHR1HTR1A
SCHEMBL9372598 0.79 HTR1A (0.52) HTR2ADRD2MCHR1HTR1A

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