SCHEMBL29905847

SCHEMBL29905847

C=CCOC(=O)N1CCN(C(=O)CN2CCOCC2)CC1c1cc(NCc2ccc(Cl)s2)n(C(=O)c2cscn2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.41
▸ KLKB1 P03952 8/20 0.40
▸ PLG P00747 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ CTRL P40313 1/20 0.34
▸ CTRB2 Q6GPI1 1/20 0.34
▸ CTRC Q99895 1/20 0.34

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
SCHEMBL18039967 0.93 F2 (0.41) F2KLKB1PLGF11KLK1
SCHEMBL29905920 0.87 F2 (0.55) F2KLKB1F11CTRB1CTRL
SCHEMBL29906031 0.85 KLKB1 (0.45) F2KLKB1PLGF11KLK1
SCHEMBL29905962 0.85 KLKB1 (0.40) F2KLKB1PLGF11KLK1
SCHEMBL29905189 0.83 F2 (0.51) F2KLKB1
SCHEMBL18040011 0.82 F2 (0.46) F2KLKB1PLGF11KLK1
SCHEMBL29905161 0.81 F2 (0.47) F2KLKB1
SCHEMBL29905862 0.81 F2 (0.46) F2KLKB1PLGF11KLK1
SCHEMBL29905195 0.81 F2 (0.48) F2KLKB1
SCHEMBL29905945 0.81 KLKB1 (0.35) F2KLKB1KLK1

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
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP disclosed
Send feedback