SCHEMBL7145086

SCHEMBL7145086

Cc1cc(C)c(OCC(=O)O)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.59
F7 P08709 13/20 0.59
PRSS1 P07477 11/20 0.59
F10 P00742 11/20 0.59
F3 P13726 5/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
MASP2 O00187 2/20 0.42
MRGPRX1 Q96LB2 1/20 0.40

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
Acetic Acid SCHEMBL8120257 0.98 F2 (0.58) F2F7PRSS1F10F3
SCHEMBL8120265 0.91 F2 (0.55) F2F7PRSS1F10F3
SCHEMBL7140419 0.90 F2 (0.48) F2F7PRSS1F10F3
SCHEMBL8120592 0.85 F7 (0.42) F2F7PRSS1F10F3
Acetic Acid SCHEMBL5883057 0.84 F10 (0.53) F2F7PRSS1F10F3
SCHEMBL5883077 0.82 F7 (0.46) F2F7PRSS1F10F3
SCHEMBL7142640 0.81 F2 (0.67) F2F7PRSS1F10F3
SCHEMBL7146001 0.80 F7 (0.70) F2F7PRSS1F10F3
SCHEMBL7145997 0.80 F7 (0.70) F2F7PRSS1F10F3
Acetic Acid SCHEMBL8122386 0.80 F2 (0.65) F2F7PRSS1F10F3

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-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed