SCHEMBL7245848

SCHEMBL7245848

COC(=O)/N=C(/N)CCN(C(=O)c1ccc2c(c1)nc(CCc1ccc(/C(N)=N\C(=O)OC)cc1)n2C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.60
▸ NR1I2 O75469 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ SLC22A2 O15244 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PLAT P00750 1/20 0.44
▸ PROC P04070 1/20 0.44
▸ HPN P05981 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ PRSS3 P35030 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
SCHEMBL7245849 1.00 F2 (0.60) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7249444 0.86 F2 (0.64) F2SLC22A2F10PLGPLAT
SCHEMBL7249442 0.86 F2 (0.64) F2SLC22A2F10PLGPLAT
SCHEMBL505919 0.82 F2 (0.84) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6778976 0.81 F2 (0.82) F2SLC22A2F10PLGPLAT
SCHEMBL7251541 0.81 F2 (0.81) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7245914 0.80 F2 (0.79) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6785613 0.79 F2 (0.72) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL6775032 0.78 F2 (0.72) F2SLC22A2F10PLGPLAT
SCHEMBL6780267 0.78 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
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