SCHEMBL6870491

SCHEMBL6870491

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(CC)cc(OC2CCN(C(=O)O)C(C(C)(C)C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.42
PRSS2 P07478 9/20 0.42
F7 P08709 9/20 0.42
F3 P13726 9/20 0.42
PRSS3 P35030 9/20 0.42
F2 P00734 7/20 0.42
F10 P00742 8/20 0.39
GPR119 Q8TDV5 1/20 0.35
EPHX2 P34913 2/20 0.35
HRH3 Q9Y5N1 4/20 0.33
HAT1 O14929 2/20 0.33
EP300 Q09472 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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 0.88 PRSS1 (0.49) PRSS1PRSS2F7F3PRSS3
SCHEMBL7421141 0.83 PRSS1 (0.50) PRSS1PRSS2F7F3PRSS3
SCHEMBL6870487 0.83 GPR119 (0.56) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883650 0.78 PRSS1 (0.53) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882153 0.78 PRSS1 (0.59) PRSS1PRSS2F7F3PRSS3
SCHEMBL4101596 0.76 GPR119 (0.53) GPR119EPHX2HRH3
SCHEMBL5882560 0.76 PRSS1 (0.61) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883682 0.75 PRSS1 (0.61) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883162 0.74 F10 (0.55) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882740 0.74 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