SCHEMBL22197868

SCHEMBL22197868

CC#Cc1ccc(N2CCN(CCCCC)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.46
DRD2 P14416 6/20 0.46
HTR1A P08908 5/20 0.46
DRD4 P21917 5/20 0.46
HTR2A P28223 4/20 0.46
DRD1 P21728 3/20 0.46
DRD5 P21918 3/20 0.46
HTR2C P28335 3/20 0.46
HTR7 P34969 3/20 0.46
SLC6A4 P31645 2/20 0.46
KDM4E B2RXH2 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL22197947 0.91 DRD2 (0.43) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL22197917 0.87 DRD2 (0.46) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL25516155 0.85 DRD2 (0.46) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL19748777 0.85 DRD2 (0.50) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL22197978 0.81 MAPT (0.42) DRD3DRD2DRD1DRD5KDM4E
SCHEMBL1646151 0.81 DRD3 (0.51) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL22197948 0.81 HTR3A (0.46)
SCHEMBL14130867 0.76 MAPT (0.45)
SCHEMBL4287978 0.76 DRD2 (0.53) DRD2HTR7KDM4E
SCHEMBL22792172 0.74 DRD3 (0.53) DRD3DRD2HTR1ADRD4HTR2A

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