SCHEMBL7255198

SCHEMBL7255198

CCOC(=O)Cn1c(Cl)cnc(NC[C@@H](Cc2ccccc2)NCCCCOc2ccc(Cl)cc2CNC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MASP2 O00187 1/20 0.41
CYP2C9 P11712 1/20 0.37
PTGER1 P34995 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
SCHEMBL7254370 0.90 F2 (0.43) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7254368 0.90 F2 (0.43) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7255193 0.80 F2 (0.39) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7259758 0.76 F2 (0.36) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7254244 0.71 MEN1 (0.41) F2CYP2C9
SCHEMBL7254246 0.71 MEN1 (0.41) F2CYP2C9
SCHEMBL7255189 0.68 MDM2 (0.33) F2MASP2CYP2C9PTGER1
SCHEMBL5855156 0.68 MEN1 (0.47) F2PRSS1PRSS2PRSS3CYP2C9
SCHEMBL7260066 0.68 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL5855369 0.67 MEN1 (0.46) F2PRSS1CYP2C9

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
WO-2003011222-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO disclosed