SCHEMBL7411481

SCHEMBL7411481

CCc1cc(OCCC2CCCN2)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.45
F3 P13726 10/20 0.45
PRSS1 P07477 9/20 0.45
PRSS2 P07478 9/20 0.45
PRSS3 P35030 9/20 0.45
F2 P00734 7/20 0.45
F10 P00742 9/20 0.40
GPR88 Q9GZN0 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.35
HSD17B10 Q99714 1/20 0.34
AURKB Q96GD4 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL7422146 0.90 F10 (0.39) F7F3PRSS1PRSS2PRSS3
SCHEMBL7419716 0.87 F7 (0.62) F7F3PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7416747 0.86 F7 (0.61) F7F3PRSS1PRSS2PRSS3
SCHEMBL7413994 0.84 HSP90AA1 (0.38) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882369 0.83 KCNA5 (0.46) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882560 0.81 PRSS1 (0.61) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883391 0.80 PRSS1 (0.50) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883399 0.80 PRSS1 (0.50) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882824 0.79 F7 (0.47) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882773 0.79 F7 (0.53) F7F3PRSS1PRSS2PRSS3

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
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed