Sugi Predict

Sugi Predict / Compounds / SCHEMBL6275986

SCHEMBL6275986

SCHEMBL6275986

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(Cc2cccc(C(=N)N)c2)Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.61
▸ PRSS1 P07477 10/20 0.61
▸ F2 P00734 8/20 0.61
▸ PLG P00747 5/20 0.61
▸ PROC P04070 1/20 0.61
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 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
SCHEMBL6285096 0.87 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL6281674 0.87 F10 (0.61) F10PRSS1F2PLGPROC
SCHEMBL6283268 0.84 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6281579 0.84 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL7113771 0.84 F10 (0.60) F10PRSS1F2PLGPROC
SCHEMBL6277852 0.83 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6280049 0.83 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL7123123 0.83 F10 (0.73) F10PRSS1F2PLGPROC
SCHEMBL7393675 0.83 F10 (0.54) F10PRSS1F2PLGPROC
SCHEMBL6275985 0.83 F10 (0.42) 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