SCHEMBL9369754

SCHEMBL9369754

COc1ccc2c(c1)C(=O)N(CCCCN1CCN(c3ccccn3)CC1)C(=O)CO2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
HTR1A P08908 7/20 0.55
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
DRD3 P35462 2/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.49

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
SCHEMBL9372262 0.99 SIGMAR1 (0.56) SIGMAR1HTR1ADRD2HTR2AHTR7
SCHEMBL9371917 0.93 HTR1A (0.55) SIGMAR1HTR1ADRD2HTR2AHTR7
SCHEMBL9375687 0.91 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9371801 0.90 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9370198 0.86 HRH3 (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9374271 0.86 HTR1A (0.46) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9369075 0.86 HTR1A (0.46) SIGMAR1HTR1ADRD2HTR2AHTR7
SCHEMBL9371795 0.85 DRD2 (0.64) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9371919 0.84 DRD2 (0.58) HTR1ADRD2HTR2AHTR7
SCHEMBL9372762 0.84 DRD3 (0.61) 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
US-5071845-A Psychotropic or anxyiolytic agent SUNTORY LIMITED (JP) 1991-12-10 US disclosed