SCHEMBL23201264

SCHEMBL23201264

Nc1nccc2cc(CNC(=O)[C@@H]3CCN3C(=O)C(NC(=O)O)C3CCCCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.58
F2 P00734 11/20 0.58
F7 P08709 6/20 0.54
F10 P00742 5/20 0.54
PRSS1 P07477 5/20 0.54
PRSS2 P07478 5/20 0.54
PRSS3 P35030 5/20 0.54
F12 P00748 3/20 0.54
F9 P00740 1/20 0.54
PRMT3 O60678 1/20 0.49
F3 P13726 1/20 0.46
KLKB1 P03952 3/20 0.46
KLK1 P06870 3/20 0.46

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
SCHEMBL23201268 1.00 F11 (0.58) F11F2F7F10PRSS1
SCHEMBL23201258 1.00 F11 (0.58) F11F2F7F10PRSS1
SCHEMBL6436645 0.91 F11 (0.56) F11F2F7F10PRSS1
SCHEMBL6436637 0.91 F11 (0.56) F11F2F7F10PRSS1
SCHEMBL23793701 0.89 F11 (0.60) F11F2F7F10PRSS1
SCHEMBL7711124 0.89 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL6438863 0.89 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL29202591 0.88 F11 (0.55) F11F2F7F10PRSS1
SCHEMBL25054132 0.88 F11 (0.55) F11F2F7F10PRSS1
SCHEMBL29202590 0.88 F11 (0.55) F11F2F7F10PRSS1

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-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed