SCHEMBL8334165

SCHEMBL8334165

Fc1ccc(CCN2CCC(N3CCc4c(Br)cccc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 3/20 0.44
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.43
SLC6A4 P31645 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
SCHEMBL5871402 0.85 HTR2A (0.53) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871000 0.82 DRD3 (0.47) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871506 0.78 HTR1A (0.45) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871190 0.77 SCD (0.52) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL31544198 0.76 OPRM1 (0.41) HTR2AHTR2CHTR6HTR1A
SCHEMBL5871570 0.75 CCR3 (0.55) HTR2AHTR7HTR1ASLC6A4
SCHEMBL5871791 0.75 OPRM1 (0.45) HTR2AHTR2C
SCHEMBL5871555 0.74 HTR2A (0.47) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871252 0.74 HTR2A (0.58) HTR2AHTR7HTR1ASLC6A4
SCHEMBL5871361 0.74 SCD (0.49) HTR2AHTR2CHTR7HTR6HTR1A

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
JP-11209373-A None JP disclosed
JP-H11209373-A PRODUCTION OF NITRILE DERIVATIVE EISAI CO LTD 1999-08-03 JP disclosed