SCHEMBL8309219

SCHEMBL8309219

COc1ccc2[nH]cc(CCCN3CCCC(C(=O)c4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.65
ACHE P22303 3/20 0.58
SLC6A4 P31645 2/20 0.56
HTR2A P28223 2/20 0.56
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MPO P05164 1/20 0.54
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51

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
SCHEMBL11619160 0.86 HTR1A (0.67) HTR1AACHESLC6A4HTR2AADRA2A
SCHEMBL8306860 0.82 HTR1A (0.62) HTR1AACHESLC6A4SLC6A2SLC6A3
SCHEMBL11223454 0.81 DRD2 (0.67) HTR1AACHESLC6A4HTR2ASLC6A3
Hydrochloric Acid SCHEMBL11616673 0.80 DRD2 (0.66) HTR1AACHESLC6A4HTR2ASLC6A3
SCHEMBL8314934 0.79 HTR2A (0.52) HTR1ASLC6A4HTR2ASLC6A3ADRA2B
SCHEMBL11617634 0.78 HTR2A (0.49) HTR2A
SCHEMBL9114665 0.77 DRD2 (0.49) HTR2A
SCHEMBL8557415 0.77 HTR1A (0.64) HTR1ASLC6A4HTR2AADRA2AADRA2B
SCHEMBL8555729 0.77 HTR1A (0.64) HTR1ASLC6A4HTR2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL11614743 0.77 HTR2A (0.49) HTR2A

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