SCHEMBL30280698

SCHEMBL30280698

NC(Cc1c[nH]cn1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
SCN4A P35499 7/20 0.41
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
AKT2 P31751 1/20 0.37
GBA1 P04062 1/20 0.36
DPP4 P27487 2/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL9727813 0.84 SLC6A4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL633165 0.83 DPP4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL633241 0.83 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18539294 0.81 KDM4E (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10551331 0.79 MAOA (0.44)
SCHEMBL11336356 0.79 LMNA (0.41)
SCHEMBL633028 0.79 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL632664 0.77 BCDIN3D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL221821 0.77 CCR5 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL224227 0.77 TAAR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-113150068-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-04-04 CN disclosed