SCHEMBL7415072

SCHEMBL7415072

Cn1c(C(N)c2ccc(C#N)cc2)nc2cc(C3(C(=O)N4CCCC4)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
F10 P00742 3/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
PLG P00747 2/20 0.48
HSD11B1 P28845 8/20 0.37
DPP7 Q9UHL4 1/20 0.34
ITK Q08881 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
SCHEMBL4451560 0.86 F2 (0.65) F2F10PRSS1PRSS2PRSS3
SCHEMBL7412218 0.85 ITK (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL7410856 0.80 ITK (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL8032174 0.80 F2 (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL7413176 0.79 F2 (0.40) F2F10PLGDPP7ITK
SCHEMBL7418277 0.78 CHRNA7 (0.44) DPP7ITK
SCHEMBL7415075 0.78 F2 (0.74) F2F10PRSS1PRSS2PRSS3
SCHEMBL7096708 0.77 F2 (0.40) F2F10PLGDPP7ITK
SCHEMBL7096731 0.72 F2 (0.37) F2F10PLGDPP7ITK
SCHEMBL7101549 0.72 F2 (0.38) F2F10PLGDPP7ITK

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-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed