SCHEMBL6450643

SCHEMBL6450643

N=C(N)c1ccc(NCCc2nc3cc(CC(NCC(=O)O)C(=O)N4CCCC4)ccc3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.40
F10 P00742 4/20 0.40
KLK1 P06870 4/20 0.39
KLK5 Q9Y337 4/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
F9 P00740 1/20 0.38
PLG P00747 3/20 0.37
PLAU P00749 3/20 0.37
PRSS1 P07477 3/20 0.36
ST14 Q9Y5Y6 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6450440 0.93 KLK1 (0.38) F2F10KLK1KLK5ITGB3
SCHEMBL6462435 0.90 ITGB3 (0.43) F2F10KLK1KLK5ITGB3
SCHEMBL6455724 0.85 F2 (0.39) F2F10KLK1KLK5F9
SCHEMBL6457229 0.82 F2 (0.41) F2F10KLK1KLK5ITGB3
SCHEMBL6451890 0.75 F2 (0.60) F2F10KLK1KLK5F9
SCHEMBL7450241 0.75 F2 (0.57) F2F10KLK1KLK5ITGB3
SCHEMBL7453719 0.72 F2 (0.42) F2F10KLK1KLK5ITGB3
SCHEMBL7442317 0.72 F2 (0.54) F2F10KLK1KLK5ITGB3
SCHEMBL7424427 0.69 F2 (0.42) F2F10KLK1KLK5F9
SCHEMBL7422210 0.67 F2 (0.40) F2F10KLK1KLK5ITGB3

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-1517687-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-30 EP claimed
WO-2004000310-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-31 WO claimed
EP-1517687-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-30 EP disclosed
WO-2004000310-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-31 WO disclosed