SCHEMBL4082423

SCHEMBL4082423

CC(C)n1ccc2cccc(Br)c21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.33
GRM2 Q14416 1/20 0.33
EED O75530 1/20 0.32

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
SCHEMBL22320209 0.82 SLC6A2 (0.41) SLC6A2SLC6A4HTR2A
SCHEMBL13180801 0.78 SLC6A2 (0.43) SLC6A2SLC6A4HTR2AHTR2CEED
SCHEMBL14685790 0.77 SLC6A2 (0.46) SLC6A2SLC6A4HTR2AHTR2CEED
SCHEMBL21725644 0.77 SLC6A2 (0.44) SLC6A2SLC6A4HTR2AHTR2CEED
SCHEMBL15472525 0.74 HTR2A (0.37) HTR2AHTR2CEED
SCHEMBL19564699 0.74 HTR2A (0.41) HTR2AHTR2C
SCHEMBL2178459 0.74 CDK4 (0.43) SLC6A2SLC6A4
SCHEMBL15723623 0.73 HTR2A (0.68) HTR2AHTR2C
SCHEMBL24143785 0.73 HTR2A (0.46) SLC6A2SLC6A4HTR2AHTR2CGRM2
SCHEMBL21725615 0.73 ESR1 (0.39) SLC6A2SLC6A4HTR2AHTR2CEED

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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed