SCHEMBL6626575

SCHEMBL6626575

CSCCC(O)[C@@H](O)C(N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
LAP3 P28838 3/20 0.42
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ANPEP P15144 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
SLC15A1 P46059 1/20 0.41
MME P08473 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
SCHEMBL6626581 1.00 CSNK1E (0.50) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL6344357 1.00 CSNK1E (0.50) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL6626571 1.00 CSNK1E (0.50) CSNK1ELAP3SLC6A2TAAR1ANPEP
Trifluoroacetic Acid SCHEMBL6341911 0.91 CSNK1E (0.43) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL6345558 0.79 CSNK1E (0.72) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL6350695 0.78 CSNK1E (0.56) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL6445044 0.77 EPHX1 (0.58) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL6929688 0.77 EPHX1 (0.58) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL6446370 0.77 EPHX1 (0.58) CSNK1ELAP3SLC6A2TAAR1ANPEP
SCHEMBL9740410 0.77 EPHX1 (0.58) CSNK1ELAP3SLC6A2TAAR1ANPEP

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-1395251-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
WO-2002100818-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed