SCHEMBL6280045

SCHEMBL6280045

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(CC2CCC(N)C2)Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.48
PRSS1 P07477 7/20 0.48
F2 P00734 6/20 0.48
PLG P00747 4/20 0.45
PROC P04070 1/20 0.43

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
SCHEMBL6280026 0.96 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7381577 0.96 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7383493 0.87 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL6281880 0.87 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL6275426 0.85 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL7391003 0.85 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL6280509 0.83 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL7114700 0.81 F10 (0.61) F10PRSS1F2PLGPROC
SCHEMBL6281562 0.81 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6275854 0.81 F10 (0.49) 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 2 patents. 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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed