SCHEMBL5022976

SCHEMBL5022976

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3nc4cc(C#N)ccc4s3)CC2I)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.53
AR P10275 1/20 0.37
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PPARA Q07869 1/20 0.32
PREP P48147 1/20 0.32
TGM2 P21980 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31

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
SCHEMBL2712075 0.90 DPP4 (0.64) DPP4ARDPP8DPP9GPR119
SCHEMBL2711530 0.84 DPP4 (0.56) DPP4DPP8DPP9IRAK4
SCHEMBL2711283 0.79 DPP4 (0.49) DPP4ABL1BCR
SCHEMBL2707234 0.77 DPP4 (0.60) DPP4DPP8DPP9GPR119
SCHEMBL2710752 0.77 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL2708924 0.77 DPP4 (0.64) DPP4ARDPP8DPP9GPR119
SCHEMBL2710061 0.75 DPP4 (0.58) DPP4ARDPP8DPP9
SCHEMBL2710588 0.75 DPP4 (0.48) DPP4
SCHEMBL2710450 0.75 NPC1 (0.49) DPP4
SCHEMBL2711745 0.74 DPP4 (0.50) DPP4ARDPP8DPP9IRAK4

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-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed