SCHEMBL8306318

SCHEMBL8306318

COc1ccc2[nH]cc(CCCN3CCC(Cc4noc5cc(F)ccc45)C3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.61
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
DRD2 P14416 7/20 0.52
HTR2A P28223 7/20 0.52
HTR7 P34969 7/20 0.52
HTR6 P50406 7/20 0.52
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 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
SCHEMBL8306860 0.78 HTR1A (0.62) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL14359185 0.74 HTR1A (0.69) HTR1ASLC6A4HTR2AHTR7
SCHEMBL11197744 0.73 DRD2 (0.59) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL14358943 0.73 HTR2A (0.67) DRD2HTR2AHTR7HTR6
SCHEMBL9210499 0.73 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL14359468 0.73 HTR2A (0.72) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9213471 0.73 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3HTR2A
Bromide SCHEMBL10894418 0.73 DRD2 (0.58) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL9214106 0.73 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL8912233 0.72 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3HTR2A

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-0747379-B1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR (FR) 1999-08-11 EP disclosed
EP-0747379-A1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR ET COMPAGNIE (FR) 1996-12-11 EP disclosed