SCHEMBL25148366

SCHEMBL25148366

Cc1cnc2c(c1)CN(c1nnc(C#N)cc1C)CC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PDE10A Q9Y233 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRK1 P41145 1/20 0.30
P2RX3 P56373 2/20 0.30
P2RX2 Q9UBL9 2/20 0.30
PLK1 P53350 1/20 0.30
CHRM1 P11229 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
SCHEMBL31659721 1.00 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31659478 0.93 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30332146 0.88 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25148195 0.88 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31660328 0.85 P2RX3 (0.32) PDE10AKDM4EP2RX3P2RX2PLK1
SCHEMBL25147741 0.85 P2RX3 (0.36) PDE10AP2RX3P2RX2
SCHEMBL25148356 0.85 P2RX3 (0.32) PDE10AKDM4EP2RX3P2RX2PLK1
SCHEMBL25153188 0.85 KDM4E (0.35) KCNH2KDM4ERECQLP2RX3P2RX2
SCHEMBL31659556 0.85 P2RX3 (0.36) PDE10AP2RX3P2RX2
SCHEMBL30370412 0.85 KDM4E (0.35) KCNH2KDM4ERECQLP2RX3P2RX2

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