SCHEMBL28940979

SCHEMBL28940979

CC(C)(O)CNC(=O)c1ncc(NC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
NAMPT P43490 4/20 0.38
PDE10A Q9Y233 6/20 0.38
P4HTM Q9NXG6 1/20 0.38
GABRA5 P31644 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 1/20 0.35

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
SCHEMBL21379396 0.85 P4HTM (0.36) PDE10AP4HTMNPC1ALDH1A1GAA
SCHEMBL22341998 0.82 P4HTM (0.48) CNR2NAMPTP4HTMNPC1ALDH1A1
SCHEMBL28941122 0.78 MAPK8 (0.38) P4HTM
SCHEMBL28940972 0.76 CNR1 (0.43) P4HTMNPC1ALDH1A1GAARAB9A
SCHEMBL28940920 0.76 ACR (0.40) NAMPTP4HTMGABRA5ALDH1A1SMN1; SMN2
SCHEMBL22341853 0.75 ANO1 (0.50)
SCHEMBL28940976 0.75 P4HTM (0.41) P4HTMNPC1ALDH1A1GAARAB9A
SCHEMBL28940875 0.74 P4HTM (0.38) P4HTMNPC1ALDH1A1GAARAB9A
SCHEMBL28940978 0.74 SCN9A (0.39) CNR2NAMPTPDE10AGABRA5CFTR
SCHEMBL17298873 0.73 NPC1 (0.52) CNR2NPC1ALDH1A1GAARAB9A

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed