SCHEMBL3358060

SCHEMBL3358060

Cc1nn(C(CC2CCCC2)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.40
PROKR1 Q8TCW9 1/20 0.36
MAPT P10636 1/20 0.35
CCR5 P51681 2/20 0.35
CACNA1H O95180 1/20 0.34
POLB P06746 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2196381 0.87 GCK (0.41) GCKMAPTKMT2AHSD17B1HSD17B2
SCHEMBL2196377 0.87 GCK (0.41) GCKMAPTKMT2AHSD17B1HSD17B2
SCHEMBL3356836 0.83 GCK (0.40) GCKCCR5HSD17B1HSD17B2GAA
SCHEMBL1711778 0.83 GCK (0.40) GCKCCR5HSD17B1HSD17B2GAA
SCHEMBL2197492 0.79 GCK (0.67) GCK
SCHEMBL2197476 0.79 GCK (0.67) GCK
SCHEMBL3352943 0.75 GCK (0.42) GCKCCR5
SCHEMBL2224418 0.75 GCK (0.42) GCKCCR5
SCHEMBL3350994 0.73 GCK (0.47) GCKGAA
SCHEMBL2384776 0.71 GCK (0.41) GCKKMT2AHSD17B1HSD17B2GAA

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-2010029461-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS PFIZER INC. (US) 2010-03-18 WO disclosed