SCHEMBL933387

SCHEMBL933387

Nc1cccc([C@]23CCOCC2CN=C(NC(=O)O)S3)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
GLS O94925 1/20 0.31

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
SCHEMBL934246 0.88 ALDH1A1 (0.34) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL3691139 0.88 ALDH1A1 (0.34) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL933488 0.86 HCRTR1 (0.37)
SCHEMBL933505 0.80 CYP1A2 (0.36) HSD17B10
SCHEMBL933478 0.80 BACE1 (0.47)
SCHEMBL970249 0.76 BACE1 (0.36) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL2926274 0.73 ALDH1A1 (0.35) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL2926279 0.73 ALDH1A1 (0.35) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL932861 0.72 CHRNA1 (0.32)
SCHEMBL16056122 0.71 HDAC1 (0.34) ALDH1A1HSD17B10

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-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO disclosed