SCHEMBL15054894

SCHEMBL15054894

CCOC(=O)C1CCCC(C2(O)CCN(c3ccc(C#N)cn3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
USP30 Q70CQ3 1/20 0.44
RET P07949 2/20 0.43
PANK3 Q9H999 6/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 3/20 0.40
KCNH2 Q12809 3/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM4 P08173 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
DGAT1 O75907 1/20 0.39
TACR3 P29371 1/20 0.39

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
SCHEMBL3857665 0.81 USP30 (0.60) DPP4USP30RETPANK3CHRM4
SCHEMBL16128015 0.80 ALDH1A1 (0.52) USP30
SCHEMBL3454291 0.72 PANK3 (0.49) DPP4USP30PANK3GPR119
SCHEMBL26292225 0.71 PANK3 (0.59) RETPANK3CHRM4GPR119
SCHEMBL21521672 0.70 PANK3 (0.48) RETPANK3
SCHEMBL31465015 0.70 PANK3 (0.48) RETPANK3
SCHEMBL3104516 0.70 TACR3 (0.54) DPP4CHRM4TACR3
SCHEMBL26290833 0.69 TIPARP (0.56) DPP4PANK3CHRM4GPR119
SCHEMBL12639817 0.68 GPR119 (0.56) DPP4PANK3JAK2JAK1JAK3
SCHEMBL3859652 0.68 CHRM4 (0.54) DPP4PANK3JAK2JAK1JAK3

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
WO-2013096093-A1 COMPOUNDS AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO disclosed
WO-2013096093-A1 COMPOUNDS AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO disclosed