SCHEMBL9374271

SCHEMBL9374271

COc1ccc2c(c1)C(=O)N(CCCCN1CCN(c3ncccc3Cl)CC1)C(=O)CO2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.46
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
MCHR1 Q99705 2/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 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
SCHEMBL9369075 0.90 HTR1A (0.46) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9375687 0.88 HTR1A (0.55) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9371919 0.88 DRD2 (0.58) HTR1ADRD2HTR2AHTR7
SCHEMBL9369481 0.87 L3MBTL1 (0.47) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9371801 0.87 HTR1A (0.54) HTR1ADRD2HTR2AMCHR1HTR7
SCHEMBL9369754 0.86 SIGMAR1 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9370385 0.86 DRD2 (0.53) HTR1ADRD2HTR2AMCHR1
SCHEMBL9372262 0.85 SIGMAR1 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9369887 0.84 DRD2 (0.45) HTR1ADRD2HTR2AMCHR1
SCHEMBL9375302 0.84 HTR2A (0.46) HTR1ADRD2HTR2AMCHR1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376633-B1 Benzoxazepine derivatives SUNTORY LTD (JP) 1994-10-12 EP disclosed
US-5071845-A Psychotropic or anxyiolytic agent SUNTORY LIMITED (JP) 1991-12-10 US disclosed
EP-0376633-A2 Benzoxazepine derivatives SUNTORY LIMITED (JP) 1990-07-04 EP disclosed