SCHEMBL6421441

SCHEMBL6421441

O=C(OCc1ccccc1)C(=O)On1cnc2c1CCN(C(=O)O)C2C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.37
P2RX7 Q99572 8/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.33
GRIN2B Q13224 1/20 0.32

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
SCHEMBL7529918 0.74 PTGDR2 (0.41) PDK1PDK2PDK3PDK4PTGDR2
SCHEMBL7532232 0.74 PDK1 (0.40) P2RX7PDK1PDK2PDK3PDK4
SCHEMBL5645729 0.72 DPP4 (0.55) P2RX7DPP4DPP8DPP7
SCHEMBL7528877 0.72 PDK1 (0.39) P2RX7PDK1PDK2PDK3PDK4
SCHEMBL6421015 0.66 GRIN2B (0.38) PDK2NPC1RAB9ASMN1; SMN2L3MBTL1
Oxalic Acid SCHEMBL6421435 0.66 AOC3 (0.55) PDK1PDK2PDK3PDK4PTGDR2
SCHEMBL6420512 0.65 GRIN2B (0.40) FAAHGRIN2B
SCHEMBL7502819 0.65 P2RX7 (0.42) P2RX7DPP4DPP8DPP7PDK2
SCHEMBL11474322 0.65 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4NPC1
SCHEMBL27144 0.63 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2L3MBTL1

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
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed