SCHEMBL31252151

SCHEMBL31252151

CC(C)(C)OC(=O)NCCCN1CCCC1c1cccc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
CNR2 P34972 1/20 0.44
CFB P00751 1/20 0.44
DRD2 P14416 6/20 0.43
TLR2 O60603 2/20 0.42
TLR1 Q15399 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
USP30 Q70CQ3 1/20 0.41
BRD4 O60885 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
NPC1L1 Q9UHC9 2/20 0.39

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
SCHEMBL25381126 1.00 ACHE (0.45) ACHEBACE1CNR2CFBDRD2
SCHEMBL25380096 0.91 DRD2 (0.45) ACHEBACE1CNR2DRD2TLR2
SCHEMBL25379938 0.87 ACHE (0.45) ACHEBACE1CNR2DRD2SIGMAR1
SCHEMBL25378584 0.82 DRD2 (0.49) CNR2DRD2SIGMAR1
SCHEMBL31252147 0.82 DRD2 (0.49) CNR2DRD2SIGMAR1
SCHEMBL7694998 0.78 CYP3A4 (0.52) DRD2
SCHEMBL322073 0.74 RIPK1 (0.52) USP30
SCHEMBL321319 0.74 RIPK1 (0.52) USP30
SCHEMBL24619422 0.73 TDP1 (0.49) ACHEBACE1CNR2DRD2
SCHEMBL24619420 0.73 TDP1 (0.49) ACHEBACE1CNR2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed