SCHEMBL4640604

SCHEMBL4640604

Cc1cc(C2CCCN2C(=O)OCc2ccccc2)nc(-c2ncc[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.45
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
GCK P35557 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PREP P48147 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 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
SCHEMBL5204446 0.83 HCRTR1 (0.37) KDM4EGCKMEN1KMT2A
SCHEMBL3556069 0.81 AADAT (0.51) AADATTMEM97SIGMAR1GFERNPSR1
SCHEMBL13374857 0.78 TMEM97 (0.49) AADATTMEM97SIGMAR1TSHRL3MBTL1
SCHEMBL3556108 0.77 NOS1 (0.55) AADATTMEM97SIGMAR1TSHRKDM4E
SCHEMBL7576252 0.76 SIGMAR1 (0.53) AADATTMEM97SIGMAR1PREPCTSK
SCHEMBL29174258 0.75 HSD11B1 (0.54) AADATTMEM97SIGMAR1TSHRL3MBTL1
SCHEMBL955550 0.75 AADAT (0.50) AADATTMEM97SIGMAR1TSHRL3MBTL1
SCHEMBL955548 0.75 AADAT (0.50) AADATTMEM97SIGMAR1TSHRL3MBTL1
SCHEMBL29277932 0.73 PREP (0.52) AADATTMEM97SIGMAR1TSHRL3MBTL1
SCHEMBL28716810 0.72 TMEM97 (0.50) AADATTMEM97SIGMAR1GFERNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954694-A1 IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR Kalypsys, Inc. (US) 2008-08-13 EP disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2007062410-A1 IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed