SCHEMBL4070662

SCHEMBL4070662

CC(C)(C)OC(=O)N1CCOC(C(Cc2ccccc2O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
USP30 Q70CQ3 3/20 0.39
GPR119 Q8TDV5 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
TERT O14746 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4080093 0.88 GPR119 (0.36) USP30GPR119JAK2JAK1STS
SCHEMBL4069724 0.85 USP30 (0.36) USP30GPR119JAK2JAK1KDM4E
SCHEMBL3332874 0.80 USP30 (0.45) USP30GPR119JAK2JAK1KDM4E
SCHEMBL3329651 0.80 USP30 (0.45) USP30GPR119JAK2JAK1KDM4E
SCHEMBL3329274 0.80 USP30 (0.45) USP30GPR119JAK2JAK1KDM4E
SCHEMBL3185439 0.80 USP30 (0.45) USP30GPR119JAK2JAK1KDM4E
SCHEMBL5298248 0.79 SLC6A2 (0.41) USP30GPR119KDM4EPKMSMARCA2
SCHEMBL5298242 0.79 SLC6A2 (0.41) USP30GPR119KDM4EPKMSMARCA2
SCHEMBL5298240 0.79 SLC6A2 (0.41) USP30GPR119KDM4EPKMSMARCA2
SCHEMBL1552545 0.78 KDM1A (0.41) KDM1AUSP30GPR119JAK2JAK1

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-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed