SCHEMBL6870487

SCHEMBL6870487

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(CC)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
PRSS3 P35030 3/20 0.44
F2 P00734 2/20 0.44
ALK Q9UM73 1/20 0.41
CETP P11597 4/20 0.41
F10 P00742 2/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL5882857 0.90 PRSS1 (0.49) GPR119PRSS1PRSS2F7F3
SCHEMBL6870491 0.83 PRSS1 (0.42) GPR119PRSS1PRSS2F7F3
SCHEMBL6874426 0.81 F10 (0.52) GPR119ALKCETPF10MAPT
SCHEMBL5883650 0.80 PRSS1 (0.53) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882153 0.80 PRSS1 (0.59) PRSS1PRSS2F7F3PRSS3
SCHEMBL7421141 0.79 PRSS1 (0.50) GPR119PRSS1PRSS2F7F3
SCHEMBL5882560 0.77 PRSS1 (0.61) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883682 0.77 PRSS1 (0.61) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883162 0.76 F10 (0.55) GPR119PRSS1PRSS2F7F3
SCHEMBL5882740 0.75 PRSS1 (0.73) PRSS1PRSS2F7F3PRSS3

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-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed