SCHEMBL7424427

SCHEMBL7424427

CN(c1nnn[nH]1)C(C)(C(=O)N1CCCC1)c1ccc2[nH]c(CCNc3ccc(C(=N)N)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.42
F10 P00742 6/20 0.42
PLG P00747 2/20 0.37
KLK1 P06870 4/20 0.36
KLK5 Q9Y337 4/20 0.36
F9 P00740 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
KCNH2 Q12809 1/20 0.33
MLLT1 Q03111 1/20 0.32
GNRHR P30968 1/20 0.31

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
SCHEMBL7102488 0.81 F2 (0.65) F2F10PLGKLK1KLK5
SCHEMBL7102495 0.81 F2 (0.65) F2F10PLGKLK1KLK5
SCHEMBL7450241 0.79 F2 (0.57) F2F10PLGKLK1KLK5
SCHEMBL7442317 0.76 F2 (0.54) F2F10PLGKLK1KLK5
SCHEMBL7422210 0.76 F2 (0.40) F2F10PLGKLK1KLK5
SCHEMBL7453719 0.75 F2 (0.42) F2F10PLGKLK1KLK5
SCHEMBL6455724 0.75 F2 (0.39) F2F10PLGKLK1KLK5
SCHEMBL7225527 0.74 F2 (0.46) F2F10PLGPRSS1PRSS2
SCHEMBL6451890 0.72 F2 (0.60) F2F10PLGKLK1KLK5
SCHEMBL7097353 0.72 F2 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP claimed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO claimed