SCHEMBL5315958

SCHEMBL5315958

CC(C)(C)OC(=O)[N+]1([C@@H](O)CCc2ccccc2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
SLC6A4 P31645 2/20 0.38
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD17B2 P37059 1/20 0.35
RIPK1 Q13546 1/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.34
SSTR4 P31391 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8216557 0.72 ALDH1A1 (0.42) SLC6A2SLC6A3
SCHEMBL487448 0.69 CTSK (0.49) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL487446 0.69 CTSK (0.49) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL7061908 0.68 CTSK (0.50) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL28903387 0.66 MMP2 (0.47) CTSKCTSS
SCHEMBL1914958 0.66 CTSS (0.46) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL1914954 0.66 CTSS (0.46) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL1915090 0.66 CTSS (0.46) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL9574193 0.66 MMP2 (0.47) CTSKCTSS
SCHEMBL5707507 0.66 METAP2 (0.58) CTSKCTSS

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed