SCHEMBL6887457

SCHEMBL6887457

NC(Cc1ccccc1)C(O)CNCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.53
CSNK1E P49674 1/20 0.49
KCNH2 Q12809 1/20 0.46
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
F2 P00734 1/20 0.45
MPO P05164 1/20 0.44

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
SCHEMBL3356645 1.00 SIGMAR1 (0.53) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL4049171 1.00 SIGMAR1 (0.53) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL6892570 0.95 SIGMAR1 (0.53) SIGMAR1CSNK1E
SCHEMBL3356781 0.95 SIGMAR1 (0.53) SIGMAR1CSNK1E
SCHEMBL4036975 0.95 SIGMAR1 (0.53) SIGMAR1CSNK1E
SCHEMBL14627960 0.92 CSNK1E (0.53) CSNK1EANPEPERAP2F2
SCHEMBL496056 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL3347864 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL4044665 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL4696783 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed