SCHEMBL1006609

SCHEMBL1006609

CC(C)(C)OC(=O)c1c[nH]c2ccc(N(Cc3ccccc3)C3CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PGR P06401 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
STS P08842 1/20 0.42
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL312643 0.87 JAK2 (0.45) JAK2JAK1MEN1KMT2APGR
SCHEMBL312092 0.82 SLC6A2 (0.61) JAK2JAK1MEN1KMT2APGR
SCHEMBL4309350 0.77 MEN1 (0.67) JAK2JAK1MEN1KMT2APGR
SCHEMBL4239118 0.77 GPR119 (0.56) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL312862 0.75 SLC6A2 (0.51) JAK2JAK1MEN1KMT2APGR
SCHEMBL4240592 0.75 JAK2 (0.52) JAK2JAK1MEN1KMT2APGR
SCHEMBL4306735 0.74 KMT2A (0.57) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL28790065 0.74 SLC6A2 (0.50) JAK2JAK1MEN1KMT2APGR
SCHEMBL4240396 0.74 ALDH1A1 (0.53) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL312781 0.74 SLC6A2 (0.51) MEN1KMT2APGRCYP2D6CYP2C9

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-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed