SCHEMBL14376036

SCHEMBL14376036

Cc1ccc(N2CCO[C@H](C)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MAP3K7 O43318 2/20 0.44
SYK P43405 1/20 0.44
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
ACVR1 Q04771 1/20 0.43
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL21588286 0.85 AKR1C3 (0.46) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21588456 0.85 AKR1C3 (0.46) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2744990 0.85 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21588462 0.85 AKR1C3 (0.46) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12235930 0.85 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12235349 0.85 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14349248 0.82 NR3C2 (0.44) NR3C2MAP3K7SYKFGFR2FGFR3
SCHEMBL14349214 0.82 NR3C2 (0.44) NR3C2MAP3K7SYKFGFR2FGFR3
SCHEMBL13113410 0.82 NR3C2 (0.44) NR3C2MAP3K7SYKFGFR2FGFR3
SCHEMBL24018507 0.82 KMT2A (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed