SCHEMBL7450241

SCHEMBL7450241

CC(NCCC(=O)O)(C(=O)N1CCCC1)c1ccc2[nH]c(CCNc3ccc(C(=N)N)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.57
F10 P00742 5/20 0.57
PLG P00747 2/20 0.39
KLK1 P06870 4/20 0.38
KLK5 Q9Y337 4/20 0.38
F9 P00740 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TMPRSS15 P98073 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MLLT1 Q03111 1/20 0.34

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
SCHEMBL7442317 0.87 F2 (0.54) F2F10PLGKLK1KLK5
SCHEMBL4450206 0.80 F2 (0.87) F2F10PLGKLK1KLK5
Hydrochloric Acid SCHEMBL7411878 0.79 F2 (0.86) F2F10PLGKLK1KLK5
SCHEMBL6450440 0.79 KLK1 (0.38) F2F10PLGKLK1KLK5
SCHEMBL7450500 0.79 MLLT1 (0.39) F2F10MLLT1
SCHEMBL7450226 0.79 F2 (0.49) F2F10KLK1KLK5PRSS1
SCHEMBL7424427 0.79 F2 (0.42) F2F10PLGKLK1KLK5
SCHEMBL7453719 0.79 F2 (0.42) F2F10PLGKLK1KLK5
Hydrochloric Acid SCHEMBL7445570 0.78 F2 (0.48) F2F10KLK1KLK5PRSS1
SCHEMBL7422210 0.78 F2 (0.40) F2F10PLGKLK1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP claimed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO claimed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed