SCHEMBL5067338

SCHEMBL5067338

CC(CC(N)=O)CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ANPEP P15144 2/20 0.35
ENPEP Q07075 2/20 0.35
ALOX5 P09917 2/20 0.34
MAPT P10636 1/20 0.32
CNR2 P34972 2/20 0.30
LTA4H P09960 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL3392036 0.75 ALDH1A1 (0.38) TDP1
SCHEMBL6938015 0.74 TDP1 (0.35) TDP1ANPEPENPEPALOX5LTA4H
SCHEMBL8895135 0.74 TDP1 (0.35) TDP1ANPEPENPEPALOX5LTA4H
SCHEMBL7349947 0.74 TDP1 (0.35) TDP1ANPEPENPEPALOX5LTA4H
SCHEMBL17592140 0.74 ANPEP (0.37) ANPEPENPEPMAPT
SCHEMBL17592776 0.74 ANPEP (0.37) ANPEPENPEPMAPT
SCHEMBL17592139 0.74 ANPEP (0.37) ANPEPENPEPMAPT
SCHEMBL17069436 0.73
SCHEMBL12540125 0.73
SCHEMBL7103418 0.72 ALDH1A1 (0.41) TDP1ALOX5LTA4H

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-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed