SCHEMBL6281650

SCHEMBL6281650

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3cccc(C(=N)N)c3)Cc3ccc(N)cc32)N1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
PRSS1 P07477 10/20 0.43
F2 P00734 9/20 0.43
PLG P00747 5/20 0.43
PROC P04070 1/20 0.43
CYP19A1 P11511 4/20 0.33
HTR7 P34969 1/20 0.30

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
SCHEMBL6281652 0.82 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL7410111 0.80 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7515067 0.80 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7411495 0.80 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL6275985 0.79 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7408558 0.79 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7408430 0.79 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7408226 0.79 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL7415455 0.78 F10 (0.57) F10PRSS1F2PLGPROC
SCHEMBL7417409 0.78 F10 (0.57) F10PRSS1F2PLGPROC

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US claimed