SCHEMBL20070243

SCHEMBL20070243

COc1ccnc(OC2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.47
HCRTR2 O43614 15/20 0.47
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
PIK3CD O00329 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL21652004 0.85 HCRTR1 (0.48) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL20147435 0.85 HRH3 (0.52) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL21311492 0.82 LOX (0.46) PIK3CDLRRK2
SCHEMBL427767 0.82 LRRK2 (0.48) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL17448852 0.82 HCRTR1 (0.49) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL28664238 0.81 ROCK1 (0.49) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL21723114 0.81 HCRTR1 (0.45) HCRTR1HCRTR2PIK3CDLRRK2
SCHEMBL17308301 0.78 LOX (0.52) HCRTR1HCRTR2PIK3CDLRRK2
SCHEMBL18672932 0.78 TLR9 (0.43) LRRK2
SCHEMBL6898999 0.78 GSK3B (0.44) PIK3CDLRRK2

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