SCHEMBL7249236

SCHEMBL7249236

CCc1cccc(N(CCC(=N)N)C(=O)c2ccc3c(c2)nc(CCc2ccc(C(=N)N)cc2)n3C)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.67
SLC22A2 O15244 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49
PROC P04070 1/20 0.49
HPN P05981 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
NQO2 P16083 1/20 0.49
PRSS3 P35030 1/20 0.49
SLC47A2 Q86VL8 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49

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
Hydrochloric Acid SCHEMBL7249824 0.99 F2 (0.66) F2SLC22A2F10PLGPLAT
SCHEMBL7251541 0.91 F2 (0.81) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7245914 0.90 F2 (0.79) F2SLC22A2F10PLGPLAT
SCHEMBL7251092 0.88 F2 (0.68) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7249875 0.87 F2 (0.67) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7247423 0.87 F2 (0.67) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7252211 0.86 F2 (0.68) F2
SCHEMBL505919 0.86 F2 (0.84) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6778976 0.85 F2 (0.82) F2SLC22A2F10PLGPLAT
SCHEMBL6780267 0.83 F2 (0.81) F2SLC22A2F10PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed