SCHEMBL23107343

SCHEMBL23107343

CCN(C(=O)OC(C)(C)C)C1CCN(c2cccc(N)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.44
GPR119 Q8TDV5 6/20 0.40
PDE10A Q9Y233 1/20 0.39
PIK3CD O00329 1/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
HSD11B1 P28845 3/20 0.36
MAP4K4 O95819 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PRKCQ Q04759 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
SCHEMBL23104094 0.86 PDE10A (0.49) GPR119PDE10APIK3CDCKS1BSKP1
SCHEMBL29736507 0.82 PDE10A (0.54) GPR119PDE10APIK3CDHSD11B1MAP4K4
SCHEMBL23104005 0.82 PDE10A (0.54) GPR119PDE10APIK3CDHSD11B1MAP4K4
SCHEMBL4339043 0.79 CCR5 (0.45) CCR5GPR119
SCHEMBL23104168 0.77 PDE10A (0.48) GPR119PDE10APIK3CDHSD11B1MAP4K4
SCHEMBL23104598 0.76 KIF18A (0.53) PDE10APIK3CDHSD11B1MAP4K4PRKCQ
SCHEMBL23107367 0.76 KIF18A (0.53) PDE10APIK3CDHSD11B1MAP4K4PRKCQ
SCHEMBL14138640 0.76 GPR119 (0.68) GPR119MAP4K4
SCHEMBL31052652 0.76 CKS1B (0.60) PDE10ACKS1BSKP1SKP2MAP4K4
SCHEMBL31211262 0.76 CCR5 (0.43) CCR5GPR119PIK3CDHSD11B1DRD2

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
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed