SCHEMBL17060748

SCHEMBL17060748

CC(C)(C)C1(c2cccc(F)c2)C[C@@H](O)CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
GRIN2B Q13224 3/20 0.38
MC4R P32245 6/20 0.38
MC5R P33032 3/20 0.38
MC3R P41968 2/20 0.38
KDM1A O60341 2/20 0.38
HSD11B1 P28845 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MC1R Q01726 1/20 0.36
PIK3CD O00329 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
PDE5A O76074 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL4976260 0.86 SLC6A2 (0.35) CCR2GRIN2BHSD11B1SLC6A2
SCHEMBL462739 0.78 CCR2 (0.40) CCR2GRIN2BMC4RMC5RMC3R
SCHEMBL462738 0.78 CCR2 (0.40) CCR2GRIN2BMC4RMC5RMC3R
SCHEMBL23070668 0.71 JAK2 (0.33)
SCHEMBL23070652 0.71 JAK2 (0.33)
SCHEMBL18780625 0.70 CCR2 (0.44) CCR2GRIN2BMC4RMC5RMC3R
SCHEMBL17920816 0.69 PDE4D (0.41)
SCHEMBL17353008 0.69 PDE4D (0.41)
SCHEMBL28469141 0.68 PSEN1 (0.37) SLC6A2
SCHEMBL4067819 0.67 CCR2 (0.38) CCR2GRIN2BHSD11B1

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
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed