SCHEMBL7253223

SCHEMBL7253223

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=N)N)C3CCCCCCC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.58
ITK Q08881 2/20 0.45
F10 P00742 2/20 0.44
PLG P00747 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
SLC22A2 O15244 1/20 0.44
PLAT P00750 1/20 0.44
PROC P04070 1/20 0.44
HPN P05981 1/20 0.44
NQO2 P16083 1/20 0.44
SLC47A2 Q86VL8 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44

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 SCHEMBL7246868 0.99 F2 (0.57) F2ITKF10PLGPRSS1
SCHEMBL6776785 0.93 F2 (0.63) F2F10PLGPRSS1PRSS2
SCHEMBL7243952 0.92 F2 (0.59) F2ITKF10PLGPRSS1
Hydrochloric Acid SCHEMBL6780972 0.89 F2 (0.54) F2ITKF10PLGPRSS1
Hydrochloric Acid SCHEMBL7245225 0.86 F2 (0.59) F2ITKF10PLGPRSS1
Hydrochloric Acid SCHEMBL7253337 0.84 F2 (0.64) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7251599 0.82 F2 (0.61) F2F10PLGPRSS1PRSS2
SCHEMBL7244852 0.81 F2 (0.60) F2F10PLGPRSS1PRSS2
SCHEMBL7251541 0.81 F2 (0.81) F2F10PLGPRSS1PRSS2
SCHEMBL6779988 0.81 F2 (0.71) F2F10PLGPRSS1PRSS2

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