SCHEMBL17620331

SCHEMBL17620331

Cc1ccccc1-c1cc2cc(CCC(=O)NCC3CCCCC3)c(N)nc2cc1C

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.79
CTSD P07339 1/20 0.54
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9708 0.92 BACE1 (0.75) BACE1CTSDHPGDMEN1KMT2A
SCHEMBL17620296 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL17620285 0.81 BACE1 (0.83) BACE1CTSD
SCHEMBL17620346 0.79 BACE1 (0.81) BACE1CTSDHPGDMEN1KMT2A
SCHEMBL17620308 0.79 BACE1 (0.84) BACE1CTSD
SCHEMBL8630 0.79 BACE1 (0.84) BACE1CTSD
SCHEMBL17620357 0.79 BACE1 (0.78) BACE1CTSDMEN1KMT2AENPP2
SCHEMBL13871 0.79 BACE1 (0.80) BACE1CTSDKMT2AENPP2
SCHEMBL17620344 0.79 BACE1 (0.80) BACE1CTSDHPGDTSHR
SCHEMBL17620310 0.79 BACE1 (0.77) BACE1CTSDENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US claimed