SCHEMBL4632009

SCHEMBL4632009

CCCCOC(=O)NCC(CCC(=O)OC)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
ACHE P22303 14/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CASP1 P29466 1/20 0.37

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
SCHEMBL4601994 0.87 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL4602214 0.78 EPHX1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL4696577 0.75 ACHE (0.62) ACHE
SCHEMBL1696820 0.73 ACHE (0.66) ACHE
SCHEMBL29024897 0.73 DGKA (0.51) LMNA
SCHEMBL29024901 0.73 DGKA (0.51) LMNA
SCHEMBL29024898 0.73 DGKA (0.51) LMNA
SCHEMBL29024902 0.73 DGKA (0.51) LMNA
SCHEMBL29024707 0.73 DGKA (0.51) LMNA
SCHEMBL5496557 0.73 EPHX1 (0.41) ACHENPC1RAB9ASMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed