SCHEMBL6424323

SCHEMBL6424323

O=C(OCc1ccccc1C(F)(F)F)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.44
PDK2 Q15119 1/20 0.39
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
RBP4 P02753 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6422607 0.86 P2RX7 (0.43) P2RX7PDK2
SCHEMBL6420064 0.86 GRIN2B (0.38) P2RX7PDK2F13A1TGM2TGM1
SCHEMBL6420047 0.84 PTGDR2 (0.37) P2RX7PDK2F13A1TGM2TGM1
SCHEMBL6423530 0.82 PTGDR2 (0.36) P2RX7PDK2
SCHEMBL6422386 0.81 CD274 (0.42)
SCHEMBL6423885 0.79 PTGDR2 (0.37) P2RX7PDK2F13A1TGM2TGM1
SCHEMBL6422824 0.79 CHRM5 (0.41) P2RX7PDK2
SCHEMBL6422626 0.79 PTGDR2 (0.37) PDK2
SCHEMBL25285486 0.78 TRPC5 (0.52) P2RX7PDK2TRPC5
SCHEMBL6420249 0.78 PTGDR2 (0.36) P2RX7PDK2

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