SCHEMBL4970599

SCHEMBL4970599

NC(=O)c1cncc(C2CC=CC=N2)c1.O=C(O)c1cc(N2CCCC2=O)c(=O)n(C2CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL924493 0.77 BACE1 (0.44) BACE1CYP3A4CYP2C9
SCHEMBL924407 0.77 BACE1 (0.47) BACE1CYP3A4CYP2C9
SCHEMBL925096 0.63 KDM4E (0.41) BACE1CYP2C9
SCHEMBL30281248 0.62 CYP11B2 (0.54) CYP3A4CYP2C9
SCHEMBL924396 0.59 LMNA (0.39)
SCHEMBL21816208 0.57 ALDH1A1 (0.61) CYP3A4CYP2C9
SCHEMBL30281205 0.57 ALDH1A1 (0.61) CYP3A4CYP2C9
SCHEMBL926212 0.57 HSD17B10 (0.43) CYP2C9
SCHEMBL924196 0.57 ALDH1A1 (0.54)
SCHEMBL29503151 0.55 DGAT1 (0.53) CYP2C9SYK

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-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed