SCHEMBL20069433

SCHEMBL20069433

CN1CCC(N)(NC(=O)CC2CNCCO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
SLC6A2 P23975 14/20 0.34
SLC6A4 P31645 10/20 0.34
SLC6A3 Q01959 8/20 0.34
RET P07949 1/20 0.34
SSTR4 P31391 2/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL20069434 0.77 CCR2 (0.37) WNT1GSK3BDYRK1ARET
SCHEMBL21651950 0.77 RET (0.56) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL20147339 0.74 WNT1 (0.37) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL2911480 0.72 WNT1 (0.41) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL25043759 0.70 WNT1 (0.40) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL1655323 0.70 ADRA2C (0.42) WNT1GSK3BDYRK1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL15550523 0.68 ADRA2C (0.41) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL2442395 0.67 ADRA2C (0.39) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL2881934 0.67 SLC6A2 (0.36) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL6519388 0.67 ADRA2C (0.39) WNT1GSK3BDYRK1ASLC6A2SLC6A4

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed