SCHEMBL4023229

SCHEMBL4023229

COC(CNC(=O)O)c1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 0.41
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 2/20 0.34
KMO O15229 1/20 0.34
ABL1 P00519 1/20 0.33
AGBL2 Q5U5Z8 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
SCHEMBL3947864 0.80 APLNR (0.42) APLNRAGBL2
SCHEMBL31447986 0.77 APLNR (0.42) APLNRKMO
SCHEMBL3923788 0.77 APLNR (0.42) APLNRKMO
SCHEMBL3944958 0.77 AGBL2 (0.38) GRM5MAPK1ABL1AGBL2
SCHEMBL4025184 0.76 APLNR (0.43) APLNR
SCHEMBL3946064 0.75 CYP1A2 (0.45) APLNRALDH1A1KMO
Hydrochloric Acid SCHEMBL4974167 0.74 APLNR (0.42) APLNR
SCHEMBL24327747 0.73 APLNR (0.44) APLNRGRM5ALDH1A1KMO
SCHEMBL24328889 0.73 APLNR (0.44) APLNRGRM5ALDH1A1KMO
SCHEMBL4023225 0.72 MAPK1 (0.41) APLNRGRM5MAPK1

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-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed