SCHEMBL9369082

SCHEMBL9369082

Cc1ccc2c(c1)OCC(=O)N(CCCCN1CCN(c3ncccc3C#N)CC1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
HTR2A P28223 6/20 0.49
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
HSD11B1 P28845 1/20 0.44

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
SCHEMBL9373402 0.90 DRD2 (0.49) DRD2HTR2AHTR1AHTR7
SCHEMBL9375348 0.89 DRD2 (0.56) DRD2HTR2AHTR1AHTR7
SCHEMBL9373729 0.87 DRD2 (0.44) DRD2HTR2AHTR1A
SCHEMBL9369887 0.87 DRD2 (0.45) DRD2HTR2AHTR1A
SCHEMBL9371971 0.85 HTR1A (0.58) DRD2HTR2AHTR1AHTR7
SCHEMBL9371919 0.85 DRD2 (0.58) DRD2HTR2AHTR1AHTR7
SCHEMBL9377218 0.84 POLB (0.50) DRD2HTR2AHSD11B1
SCHEMBL9371995 0.84 HTR1A (0.57) DRD2HTR2AHTR1AHTR7
SCHEMBL9375609 0.83 KCNH2 (0.54) DRD2HTR2AHTR1AHTR7
SCHEMBL9369647 0.83 KCNH2 (0.56) DRD2HTR2AHTR1AHTR7

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