SCHEMBL6376291

SCHEMBL6376291

CCOC(=O)CCc1ccc(O)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
APP P05067 2/20 0.51
CYP2D6 P10635 3/20 0.46
CASR P41180 3/20 0.46
ADRB2 P07550 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP4Z1 Q86W10 1/20 0.44
IAPP P10997 3/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
USP14 P54578 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL7604379 0.92 CYP4Z1 (0.46) CYP4F2CYP4A11APPCYP2D6CASR
SCHEMBL3348357 0.89 CYP4F2 (0.54) CYP4F2CYP4A11APPCYP2D6CASR
SCHEMBL1337425 0.84 CYP4F2 (0.55) CYP4F2CYP4A11APPCYP2D6CASR
SCHEMBL6416677 0.82 CYP4F2 (0.52) CYP4F2CYP4A11APPCYP2D6CASR
SCHEMBL30291871 0.82 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL490911 0.82 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL7605997 0.81 CYP4F2 (0.51) CYP4F2CYP4A11CYP2D6CASRADRB2
SCHEMBL7608755 0.81 CYP4Z1 (0.46) CYP4F2CYP4A11APPCYP2D6CASR
SCHEMBL8984895 0.81 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL1549436 0.81 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1IAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070048-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP disclosed
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