SCHEMBL30668686

SCHEMBL30668686

Nc1ccnc(N2Cc3ccccc3C2)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 12/20 0.79
GRIN3B O60391 12/20 0.79
GRIN1 Q05586 12/20 0.79
GRIN2A Q12879 12/20 0.79
GRIN2B Q13224 12/20 0.79
GRIN2C Q14957 12/20 0.79
GRIN3A Q8TCU5 12/20 0.79
CHRM1 P11229 7/20 0.79
ADRA1D P25100 7/20 0.79
ADRA1A P35348 7/20 0.79
ADRA1B P35368 7/20 0.79
OPRD1 P41143 6/20 0.53
KCNH2 Q12809 2/20 0.50
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL18115460 1.00 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6439995 0.89 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29756093 0.81 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6440014 0.80 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16713384 0.79 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL465754 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1811254 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2378294 0.75 HRH4 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30349346 0.75 HRH4 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7480559 0.75 GRIN2D (0.76) 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-112707893-B 1-cyanopyrrolidine compounds as USP30 inhibitors 特殊治疗有限公司 2023-10-31 CN disclosed