SCHEMBL902233

SCHEMBL902233

CC(C)(C)N(C(=O)O)C1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.35
GPR119 Q8TDV5 3/20 0.35
NPY5R Q15761 4/20 0.34
LIPG Q9Y5X9 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ROCK1 Q13464 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LPL P06858 1/20 0.33
KMO O15229 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL14905665 0.82 NOTUM (0.40) NOTUMNPY5R
SCHEMBL30814862 0.82 NPY5R (0.42) NPY5RLIPGFFAR4LPL
SCHEMBL14322213 0.82 NPY5R (0.42) NPY5RLIPGFFAR4LPL
SCHEMBL2523673 0.81 NOTUM (0.36) NOTUMLIPGFFAR4ROCK1LPL
SCHEMBL2190473 0.81 LPL (0.39) NPY5RLIPGLPL
SCHEMBL901845 0.80 NPY5R (0.50) NOTUMGPR119NPY5RSMN1; SMN2HSD17B10
SCHEMBL1841187 0.79 USP30 (0.38) GPR119USP30
SCHEMBL16924877 0.78 USP30 (0.42) SMN1; SMN2USP30
SCHEMBL14322397 0.78 PDK2 (0.47) NOTUMLIPGFFAR4ROCK1LPL
SCHEMBL901529 0.78 NPY5R (0.41) NOTUMNPY5RFFAR4MAPK1SMN1; SMN2

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed