SCHEMBL8665014

SCHEMBL8665014

CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.57
KDM4D Q6B0I6 5/20 0.54
SUV39H2 Q9H5I1 6/20 0.51
DRD2 P14416 1/20 0.51
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
KCNA3 P22001 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
ACACB O00763 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44

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
SCHEMBL5202966 0.93 CTSK (0.53) CTSKKDM4DSUV39H2DRD2JAK3
SCHEMBL29689456 0.87 NOTUM (0.56) CTSKKDM4DSUV39H2DRD2JAK3
SCHEMBL3708015 0.85 CTSK (0.52) CTSKSUV39H2BTKPIM1PIM3
SCHEMBL22434715 0.85 CTSK (0.52) CTSKKDM4DSUV39H2PIM1PIM3
SCHEMBL22434601 0.85 CTSK (0.52) CTSKKDM4DSUV39H2PIM1PIM3
SCHEMBL16544562 0.84 KDM4D (0.52) CTSKKDM4DSUV39H2PIM1PIM3
SCHEMBL30936771 0.84 CTSK (0.51) CTSKSUV39H2PIM1PIM3PIM2
SCHEMBL16434657 0.84 KDM4D (0.52) CTSKKDM4DSUV39H2PIM1PIM3
SCHEMBL12841264 0.84 SUV39H2 (0.52) CTSKKDM4DSUV39H2DRD2JAK3
SCHEMBL1413310 0.84 KDM4D (0.52) CTSKKDM4DSUV39H2PIM1PIM3

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-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed