SCHEMBL7414458

SCHEMBL7414458

CCOC(=O)NC(=N)c1ccc(C(N)c2nc3cc(C(C)(CNCC(=O)CC(=O)OC)C(=O)N4CCCC4)ccc3n2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.40
F10 P00742 7/20 0.40
PLG P00747 3/20 0.38
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL7418432 0.97 F2 (0.42) F2F10PLGALDH1A1GAA
SCHEMBL7414147 0.94 F2 (0.40) F2F10PLGPRSS1PRSS2
SCHEMBL7417194 0.93 F2 (0.39) F2F10PLGSIRT2
SCHEMBL7421013 0.93 F2 (0.39) F2F10PLGSIRT2
SCHEMBL7416312 0.92 F2 (0.40) F2F10PLGALDH1A1GAA
SCHEMBL7415480 0.91 F2 (0.40) F2F10PLGALDH1A1GAA
SCHEMBL7416491 0.91 F2 (0.40) F2F10PLGALDH1A1GAA
SCHEMBL7421036 0.91 F2 (0.41) F2F10PLGALDH1A1PRSS1
SCHEMBL7415358 0.91 F2 (0.42) F2F10PLGALDH1A1GAA
SCHEMBL7416666 0.87 F2 (0.38) F2F10PLGALDH1A1MAPT

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