SCHEMBL6437115

SCHEMBL6437115

Nc1nccc2cc(CNC(=O)C3CCCN3C(=O)C(Cc3ccc(Cl)cc3)NCC(=O)O)ccc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 14/20 0.63
F2 P00734 13/20 0.63
F10 P00742 10/20 0.47
F7 P08709 8/20 0.47
PRSS1 P07477 7/20 0.47
PRSS2 P07478 7/20 0.47
PRSS3 P35030 7/20 0.47
F12 P00748 3/20 0.45
F9 P00740 1/20 0.45
F3 P13726 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL6437118 1.00 F11 (0.63) F11F2F10F7PRSS1
SCHEMBL6439143 0.95 F11 (0.57) F11F2F10F7PRSS1
SCHEMBL6439146 0.95 F11 (0.57) F11F2F10F7PRSS1
SCHEMBL6438717 0.94 F2 (0.55) F11F2F10F7PRSS1
SCHEMBL6438710 0.94 F2 (0.55) F11F2F10F7PRSS1
SCHEMBL3767038 0.94 F11 (0.65) F11F2F10F7PRSS1
SCHEMBL6438340 0.94 F11 (0.65) F11F2F10F7PRSS1
SCHEMBL6440344 0.93 F11 (0.65) F11F2F10F7PRSS1
SCHEMBL6440348 0.93 F11 (0.65) F11F2F10F7PRSS1
SCHEMBL6436848 0.91 F11 (0.63) F11F2F10F7PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed