SCHEMBL7679908

SCHEMBL7679908

C[C@H]1CCCN1C(=O)C(C)(NCC(=O)O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.78
F10 P00742 5/20 0.78
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47
PLG P00747 2/20 0.47
SLC22A2 O15244 1/20 0.47
PLAT P00750 1/20 0.47
PROC P04070 1/20 0.47
HPN P05981 1/20 0.47
NQO2 P16083 1/20 0.47
SLC47A2 Q86VL8 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
HDAC6 Q9UBN7 2/20 0.42

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
SCHEMBL7679895 1.00 F2 (0.78) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7102654 0.99 F2 (0.77) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7096375 0.91 F2 (0.66) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL2989514 0.88 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL2471738 0.88 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL29456575 0.88 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL4937696 0.87 F2 (0.98) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL4445262 0.87 F2 (0.98) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL7417719 0.87 F2 (0.98) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7413108 0.87 F2 (0.97) F2F10PRSS1PRSS2PRSS3

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-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US claimed