SCHEMBL7416491

SCHEMBL7416491

CCCCCCOC(=O)NC(=N)c1ccc(C(N)c2nc3cc(C(C)(CNCC(=O)CC(=O)OCC)C(=O)N4CCCC4)ccc3n2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.40
F10 P00742 7/20 0.40
PLG P00747 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
CNR1 P21554 1/20 0.33
NR1I2 O75469 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
SLC6A2 P23975 1/20 0.32
AGTR1 P30556 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SCN5A Q14524 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7415480 1.00 F2 (0.40) F2F10PLGSIRT2CNR1
SCHEMBL7421013 0.96 F2 (0.39) F2F10PLGSIRT2CNR1
SCHEMBL7417194 0.96 F2 (0.39) F2F10PLGSIRT2CNR1
SCHEMBL7418432 0.94 F2 (0.42) F2F10PLGSIRT2PRSS1
SCHEMBL7414147 0.93 F2 (0.40) F2F10PLGCNR1PRSS1
SCHEMBL7414458 0.91 F2 (0.40) F2F10PLGSIRT2PRSS1
SCHEMBL7416312 0.91 F2 (0.40) F2F10PLGPRSS1PRSS2
SCHEMBL7415358 0.90 F2 (0.42) F2F10PLGPRSS1PRSS2
SCHEMBL7416666 0.86 F2 (0.38) F2F10PLGALDH1A1MAPT
SCHEMBL7414747 0.84 F2 (0.37) F2F10PLGALDH1A1GAA

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