SCHEMBL7417231

SCHEMBL7417231

CCOC(=O)N(C)C(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(C(N)c1ccc(C(=N)NC(=O)OCOC(C)=O)cc1)n2C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.38
F10 P00742 7/20 0.38
PLG P00747 3/20 0.38
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL7418083 0.95 F2 (0.41) F2F10PLGALDH1A1GAA
SCHEMBL7488072 0.91 F2 (0.39) F2F10PLGALDH1A1GAA
SCHEMBL7415568 0.91 F2 (0.38) F2F10PLGALDH1A1GAA
SCHEMBL7413417 0.90 F2 (0.41) F2F10PLGALDH1A1GAA
SCHEMBL7412758 0.90 F2 (0.38) F2F10PLGALDH1A1GAA
SCHEMBL7413698 0.90 F2 (0.39) F2F10PLGALDH1A1
SCHEMBL7413541 0.90 F2 (0.38) F2F10PLGALDH1A1GAA
SCHEMBL7416844 0.90 F2 (0.39) F2F10PLGALDH1A1GAA
SCHEMBL7413828 0.87 F2 (0.37) F2F10PLGALDH1A1MAPT
SCHEMBL7411436 0.86 F2 (0.38) F2F10PLGSIRT2

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