SCHEMBL7255193

SCHEMBL7255193

CCOC(=O)Cn1c(Cl)cnc(N(CCNCCCCOc2ccc(Cl)cc2CNC(=O)OC(C)(C)C)Cc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.39
PRSS1 P07477 5/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
PTGER1 P34995 2/20 0.37
CYP2C9 P11712 1/20 0.37
MASP2 O00187 2/20 0.36
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL7255189 0.86 MDM2 (0.33) F2PTGER1CYP2C9MASP2MDM2
SCHEMBL7254368 0.83 F2 (0.43) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7254370 0.83 F2 (0.43) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7255198 0.80 F2 (0.46) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7259758 0.70 F2 (0.36) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7258197 0.66 MEN1 (0.45) CYP2C9KDM4E
SCHEMBL7254334 0.65 IDO1 (0.44) PTGER1CYP2C9KDM4E
SCHEMBL30933809 0.65 CYP1A2 (0.56)
SCHEMBL7255214 0.65 IDO1 (0.43) PTGER1CYP2C9KDM4E
SCHEMBL7257945 0.65 IDO1 (0.43) PTGER1CYP2C9KDM4E

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