SCHEMBL22197947

SCHEMBL22197947

CC#Cc1ccc(N2CCN(CCC)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
DRD3 P35462 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
RET P07949 1/20 0.41
MAPT P10636 1/20 0.41
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PARP1 P09874 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL22197868 0.91 DRD3 (0.46) DRD2DRD1DRD5DRD3SIGMAR1
SCHEMBL22197917 0.85 DRD2 (0.46) DRD2DRD1DRD5DRD3SIGMAR1
SCHEMBL4287978 0.84 DRD2 (0.53) DRD2RETHTR7KDM4EPARP1
SCHEMBL22197978 0.84 MAPT (0.42) DRD2DRD1DRD5DRD3MAPT
SCHEMBL22197948 0.84 HTR3A (0.46) MAPTPIK3CAMTOR
SCHEMBL25516155 0.80 DRD2 (0.46) DRD2DRD1DRD5DRD3SIGMAR1
SCHEMBL14130867 0.80 MAPT (0.45) MAPTPIK3CAMTOR
SCHEMBL15496957 0.78 DRD2 (0.60) DRD2DRD1DRD5DRD3SIGMAR1
SCHEMBL14130936 0.77 PLD1 (0.46) RETMAPTHTR7HTR1AHTR2C
SCHEMBL8218487 0.77 ADK (0.60) MAPTKDM4EGAAPIK3CAMTOR

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
WO-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed