SCHEMBL29131014

SCHEMBL29131014

COc1cc(N2CCN(C)C2=O)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.44
HTR2B P41595 10/20 0.44
HTR2A P28223 9/20 0.44
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
MCHR1 Q99705 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL29130939 0.79 DRD2 (0.35) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL25272183 0.79 SLC6A2 (0.44) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL16915136 0.77 MAPT (0.52) MEN1KMT2AMAPTTSHR
SCHEMBL30602445 0.77 MAPT (0.52) MEN1KMT2AMAPTTSHR
SCHEMBL16914916 0.76 HDAC1 (0.47) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL9997046 0.75 PIK3CA (0.46) MEN1KMT2AMAPTMCHR1TSHR
SCHEMBL30602385 0.75 PIK3CA (0.46) MEN1KMT2AMAPTMCHR1TSHR
SCHEMBL18048553 0.75 MCHR1 (0.45) MCHR1
SCHEMBL29130908 0.75 MAPT (0.48) MAPTTSHR
SCHEMBL12427204 0.74 NOX4 (0.49) DRD2DRD3MEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed