SCHEMBL26923322

SCHEMBL26923322

C[C@@H]1CCC[C@](NC(=O)c2ccccn2)(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
LMNA P02545 2/20 0.49
GRM5 P41594 4/20 0.45
FPR2 P25090 1/20 0.45
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
AGTR1 P30556 1/20 0.42
OPRK1 P41145 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRM4 Q14833 1/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL26923549 1.00 GAA (0.49) GAALMNAGRM5FPR2KDM4E
SCHEMBL30599125 1.00 GAA (0.49) GAALMNAGRM5FPR2KDM4E
SCHEMBL31231767 0.88 GAA (0.48) GAALMNAGRM5FPR2KDM4E
SCHEMBL30714528 0.88 GAA (0.48) GAALMNAGRM5FPR2KDM4E
SCHEMBL30599079 0.88 GAA (0.48) GAALMNAGRM5FPR2KDM4E
SCHEMBL26252140 0.88 GAA (0.48) GAALMNAGRM5FPR2KDM4E
SCHEMBL31415247 0.85 GAA (0.49) GAALMNAGRM5FPR2KDM4E
SCHEMBL31415270 0.85 GAA (0.49) GAALMNAGRM5FPR2KDM4E
SCHEMBL1840355 0.82 GAA (0.60) GAALMNAGRM5FPR2KDM4E
SCHEMBL31284421 0.81 GRM5 (0.43) GAALMNAGRM5FPR2KDM4E

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-2023240084-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-12-14 WO disclosed