SCHEMBL1964770

SCHEMBL1964770

CC(C)(C)N1CCC(F)(COS(C)(=O)=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.31
GRIN1 Q05586 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL15716093 0.83 CRHBP (0.31) MMP9
SCHEMBL18940045 0.80 KDM4E (0.39) MMP9
SCHEMBL731836 0.77 GPR119 (0.43)
SCHEMBL30140441 0.76 KDM4E (0.36) MMP9
SCHEMBL1067750 0.76 KDM4E (0.36) MMP9
SCHEMBL2349284 0.75 APP (0.33)
SCHEMBL18704543 0.74 VNN1 (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16862314 0.73 MMP9 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15716160 0.72 RORC (0.39)
SCHEMBL1292476 0.72 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334677-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-06-22 EP disclosed
WO-2010022076-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 WO disclosed