SCHEMBL7416844

SCHEMBL7416844

CCOC(=O)N(C)C(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(C(N)c1ccc(C(=N)NC(=O)c3ccccc3)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.39
F10 P00742 7/20 0.39
PLG P00747 3/20 0.39
MAPK1 P28482 1/20 0.34
HDAC6 Q9UBN7 5/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PTGER4 P35408 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7413405 0.95 F2 (0.40) F2F10PLGMAPK1HDAC6
SCHEMBL7413828 0.94 F2 (0.37) F2F10PLGMAPK1ALDH1A1
SCHEMBL7100448 0.94 F2 (0.39) F2F10PLGMAPK1HDAC6
SCHEMBL7418083 0.93 F2 (0.41) F2F10PLGHPGDALDH1A1
SCHEMBL7420175 0.93 F2 (0.41) F2F10PLGMAPK1HDAC6
SCHEMBL7407838 0.92 F2 (0.39) F2F10PLGMAPK1HDAC6
SCHEMBL7413698 0.92 F2 (0.39) F2F10PLGHDAC6HDAC1
SCHEMBL7408713 0.91 F2 (0.39) F2F10PLGMAPK1HDAC6
SCHEMBL7413417 0.91 F2 (0.41) F2F10PLGHDAC6HDAC1
SCHEMBL7417231 0.90 F2 (0.38) F2F10PLGHPGDALDH1A1

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