SCHEMBL6900342

SCHEMBL6900342

CCCN(CCC)CCOc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.62
CACNA1B Q00975 2/20 0.62
GAA P10253 2/20 0.58
MCHR1 Q99705 3/20 0.50
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
PLK1 P53350 1/20 0.48
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7056986 0.92 CACNA1H (0.63) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL6897990 0.90 MCHR1 (0.53) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL6898486 0.87 GAA (0.58) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL6900340 0.84 MCHR1 (0.68) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL6899776 0.83 THRB (0.61) MCHR1RAB9AMEN1KMT2ANPC1
SCHEMBL7051105 0.83 MEN1 (0.58) CACNA1HCACNA1BMCHR1RAB9AMEN1
SCHEMBL3500701 0.82 GAA (0.60) CACNA1HCACNA1BGAAMCHR1RAB9A
SCHEMBL6895401 0.81 MCHR1 (0.70) MCHR1RAB9AMEN1KMT2ANPC1
SCHEMBL5936600 0.79 CACNA1H (0.70) CACNA1HCACNA1BGAARAB9AMEN1
SCHEMBL6898504 0.79 GAA (0.56) 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 3 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-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed