SCHEMBL7604097

SCHEMBL7604097

CCOC(=O)CCCc1ccc(C#N)c(OC[C@H]2CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.48
CASR P41180 3/20 0.47
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KCNH2 Q12809 3/20 0.39
KCNJ1 P48048 2/20 0.39
ADRB2 P07550 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
TNF P01375 1/20 0.38

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
SCHEMBL7604094 1.00 MGLL (0.48) MGLLCASRFFAR1FFAR4KCNH2
SCHEMBL7604752 0.94 MGLL (0.48) MGLLCASRKCNH2ADRB2CYP2D6
SCHEMBL7604748 0.94 MGLL (0.48) MGLLCASRKCNH2ADRB2CYP2D6
SCHEMBL7603924 0.94 CASR (0.52) MGLLCASRFFAR1FFAR4KCNH2
SCHEMBL7603925 0.94 CASR (0.52) MGLLCASRFFAR1FFAR4KCNH2
SCHEMBL6374360 0.87 CASR (0.49) MGLLCASRKCNH2ADRB2CYP2D6
SCHEMBL11023521 0.83 MGLL (0.50) MGLLCYP4Z1CYP4F11CYP4F12
SCHEMBL3348258 0.81 FFAR1 (0.59) CASRFFAR1FFAR4
SCHEMBL3348748 0.81 FFAR1 (0.59) CASRFFAR1FFAR4
SCHEMBL3346797 0.80 FFAR1 (0.43) CASRFFAR1FFAR4KCNH2KCNJ1

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
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed