SCHEMBL6918709

SCHEMBL6918709

CC(C)(C)[C@@H](N)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cc(Cl)ccc1-c1cnsn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.41
F10 P00742 12/20 0.41
PRSS1 P07477 12/20 0.41
PRSS2 P07478 12/20 0.41
PRSS3 P35030 12/20 0.41
F12 P00748 10/20 0.41
F7 P08709 10/20 0.41
CFD P00746 2/20 0.41
F9 P00740 3/20 0.39
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39

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
SCHEMBL6914941 0.86 VHL (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL6919609 0.83 CFD (0.40) CFD
SCHEMBL6918706 0.80 GPBAR1 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6921244 0.78 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6922190 0.78 CYP3A4 (0.61) F2F10PRSS1PRSS3F12
SCHEMBL6078115 0.73 F2 (0.57) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6077890 0.73 F2 (0.56) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6919611 0.73 MASP2 (0.36) F2
SCHEMBL6919764 0.71 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6914935 0.71 GPBAR1 (0.34)

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-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO claimed