SCHEMBL25147679

SCHEMBL25147679

Cc1ccc(N2CC(C(C)(C)O)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
PRCP P42785 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HPGDS O60760 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PANK3 Q9H999 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL30937175 0.80 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14845793 0.80 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21664701 0.78 GPR119 (0.46) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16472352 0.78 GRIN2D (0.49) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10154595 0.78 GRIN2D (0.49) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22210396 0.77 GRIN2D (0.43) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29496980 0.77 ACACB (0.35) PRCPHPGDSLRRK2
SCHEMBL25296122 0.77 ACACB (0.35) PRCPHPGDSLRRK2
SCHEMBL16472245 0.76 GRIN2D (0.42) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20133354 0.76 GRIN2D (0.42) PDE10AGRIN2DGRIN3BGRIN1GRIN2A

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-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed