SCHEMBL7056986

SCHEMBL7056986

CCN(CC)CCOc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.63
CACNA1B Q00975 2/20 0.63
GAA P10253 2/20 0.56
MCHR1 Q99705 9/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
AGER Q15109 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6900342 0.92 CACNA1H (0.62) CACNA1HCACNA1BGAAMCHR1MEN1
SCHEMBL3500701 0.91 GAA (0.60) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL7051105 0.90 MEN1 (0.58) CACNA1HCACNA1BMCHR1MEN1KMT2A
SCHEMBL6898504 0.86 GAA (0.56) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL6925417 0.86 GAA (0.58) CACNA1HCACNA1BGAAMCHR1MEN1
SCHEMBL6900340 0.85 MCHR1 (0.68) CACNA1HCACNA1BGAAMCHR1MEN1
SCHEMBL6926348 0.85 GAA (0.57) CACNA1HCACNA1BGAAMCHR1MEN1
SCHEMBL6927791 0.84 GAA (0.59) CACNA1HCACNA1BGAAMCHR1MEN1
SCHEMBL6807188 0.84 MCHR1 (0.71) MCHR1MEN1KMT2ARAB9AALDH1A1
SCHEMBL6927664 0.83 MCHR1 (0.61) CACNA1HCACNA1BGAAMCHR1RAB9A

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-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed