SCHEMBL6890116

SCHEMBL6890116

CCCCNCC(O)C(N)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.62
REN P00797 4/20 0.50
BCHE P06276 3/20 0.45
F2 P00734 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 1/20 0.43
LAP3 P28838 3/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
EPHX1 P07099 1/20 0.42
TRPA1 O75762 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
SCHEMBL3355145 1.00 CSNK1E (0.62) CSNK1ERENBCHEF2SIGMAR1
Hydrochloric Acid SCHEMBL5218980 0.99 CSNK1E (0.61) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL5226010 0.96 CSNK1E (0.65) CSNK1ERENBCHEF2SIGMAR1
Hydrochloric Acid SCHEMBL5219096 0.93 CSNK1E (0.66) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL5930069 0.91 CSNK1E (0.57) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL14627960 0.91 CSNK1E (0.53) CSNK1EBCHEF2ANPEPERAP2
Hydrochloric Acid SCHEMBL4692753 0.90 CSNK1E (0.56) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL6891598 0.90 CSNK1E (0.54) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL3349124 0.90 CSNK1E (0.54) CSNK1ERENBCHEF2SIGMAR1
SCHEMBL3356645 0.87 SIGMAR1 (0.53) CSNK1EF2SIGMAR1ANPEPERAP2

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