SCHEMBL7024504

SCHEMBL7024504

COCCN(Cc1cccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cc(C)c4c3)c2=O)c1)C(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.53
PRSS1 P07477 6/20 0.51
MASP2 O00187 1/20 0.47
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 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
SCHEMBL7022401 0.89 F2 (0.57) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7023265 0.87 F2 (0.60) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7022075 0.84 F2 (0.65) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL8501829 0.84 F2 (0.65) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7021153 0.83 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7018727 0.82 F2 (0.62) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7017947 0.82 F2 (0.57) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7017949 0.82 F2 (0.57) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7027525 0.81 F2 (0.60) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7017898 0.81 F2 (0.58) F2PRSS1MASP2PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed