SCHEMBL7420179

SCHEMBL7420179

COC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)c3ccccc3)cc1)n2C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.71
F10 P00742 4/20 0.71
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
HDAC6 Q9UBN7 3/20 0.46
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PLG P00747 2/20 0.40
SLC22A2 O15244 1/20 0.40
PLAT P00750 1/20 0.40
PROC P04070 1/20 0.40
HPN P05981 1/20 0.40
NQO2 P16083 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40

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
SCHEMBL7097033 0.95 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL7102464 0.94 F2 (0.80) F2F10PRSS1PRSS2PRSS3
SCHEMBL7416848 0.94 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL7097035 0.94 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL3005204 0.93 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL7413408 0.93 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL7408716 0.93 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL7100633 0.92 F2 (0.66) F2F10PRSS1PRSS2PRSS3
SCHEMBL7100450 0.92 F2 (0.66) F2F10PRSS1PRSS2PRSS3
SCHEMBL7407842 0.92 F2 (0.66) 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 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