SCHEMBL8201984

SCHEMBL8201984

COc1ccccc1C(=O)n1cc(C[C@H]2CCCN2C)c2cc(OC3CCCCC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.51
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.43
PDE4B Q07343 1/20 0.42
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
ACKR3 P25106 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL8201987 1.00 HTR6 (0.51) HTR6HTR1AHTR1BPDE4BHTR2A
SCHEMBL8209786 0.89 HTR6 (0.52) HTR6HTR1AHTR1BPDE4BHTR2A
SCHEMBL8209783 0.89 HTR6 (0.52) HTR6HTR1AHTR1BPDE4BHTR2A
SCHEMBL8213323 0.87 HTR6 (0.55) HTR6HTR1AHTR1BPOLB
SCHEMBL8213328 0.87 HTR6 (0.55) HTR6HTR1AHTR1BPOLB
SCHEMBL8209078 0.86 HTR6 (0.55) HTR6HTR1AHTR1BHTR2A
SCHEMBL8209082 0.86 HTR6 (0.55) HTR6HTR1AHTR1BHTR2A
SCHEMBL8211649 0.83 HTR6 (0.53) HTR6HTR1AHTR1BHTR2A
SCHEMBL8211652 0.83 HTR6 (0.53) HTR6HTR1AHTR1BHTR2A
SCHEMBL8208584 0.83 HTR6 (0.52) HTR6HTR1AHTR1BPDE4BKMT2A

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
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed