SCHEMBL9371995

SCHEMBL9371995

Cc1ccc2c(c1)OCC(=O)N(CCCCCN1CCN(c3ncccn3)CC1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.57
DRD2 P14416 4/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
DRD3 P35462 4/20 0.49
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.47

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
SCHEMBL9371971 0.99 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9369647 0.91 KCNH2 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9375609 0.90 KCNH2 (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9375582 0.87 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9372589 0.87 HTR1A (0.69) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9372339 0.87 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9373729 0.86 DRD2 (0.44) HTR1ADRD2HTR2A
SCHEMBL9369887 0.86 DRD2 (0.45) HTR1ADRD2HTR2A
SCHEMBL31013504 0.86 HTR1A (0.71) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9370364 0.86 HTR1A (0.71) 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