SCHEMBL6462435

SCHEMBL6462435

CCOC(=O)CNC(Cc1ccc2[nH]c(CCNc3ccc(C(=N)N)cc3)nc2c1)C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
F2 P00734 5/20 0.37
KLK1 P06870 3/20 0.37
KLK5 Q9Y337 3/20 0.37
PLG P00747 4/20 0.37
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36
F10 P00742 4/20 0.35
PLAU P00749 4/20 0.35
ST14 Q9Y5Y6 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
F9 P00740 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 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
SCHEMBL6450643 0.90 F2 (0.40) ITGB3ITGA2BF2KLK1KLK5
SCHEMBL6450440 0.86 KLK1 (0.38) ITGB3ITGA2BF2KLK1KLK5
SCHEMBL6455724 0.81 F2 (0.39) F2KLK1KLK5PLGPRSS1
SCHEMBL7442317 0.81 F2 (0.54) ITGB3ITGA2BF2KLK1KLK5
SCHEMBL7422210 0.75 F2 (0.40) ITGB3ITGA2BF2KLK1KLK5
SCHEMBL6457229 0.74 F2 (0.41) ITGB3ITGA2BF2KLK1KLK5
SCHEMBL6451890 0.72 F2 (0.60) F2KLK1KLK5PLGPRSS1
SCHEMBL7450241 0.70 F2 (0.57) ITGB3ITGA2BF2KLK1KLK5
Hydrochloric Acid SCHEMBL7454640 0.70 KLK1 (0.39) ITGB3ITGA2BF2KLK1KLK5
SCHEMBL7453719 0.70 F2 (0.42) ITGB3ITGA2BF2KLK1KLK5

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 2 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 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