SCHEMBL8680357

SCHEMBL8680357

BrC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.44
GRIN3B O60391 5/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2A Q12879 5/20 0.44
GRIN2B Q13224 5/20 0.44
GRIN2C Q14957 5/20 0.44
GRIN3A Q8TCU5 5/20 0.44
LMNA P02545 2/20 0.44
SLC22A2 O15244 2/20 0.44
SLC47A1 Q96FL8 2/20 0.44
SLC22A1 O15245 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT6 P42226 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL258925 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL28264015 0.96 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Ammonia Solution, Strong SCHEMBL28147124 0.96 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4999951 0.96 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1890473 0.96 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9216465 0.83 LMNA (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acetic Acid SCHEMBL6941117 0.81 THRB (0.40) SIGMAR1THRBSMN1; SMN2GAAEPHX2
SCHEMBL548532 0.79 LMNA (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18028703 0.79 LMNA (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21565177 0.78 MEN1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10045749-A None JP disclosed
JP-H1045749-A ADAMANTYL SUBSTITUTED OXYINDOLE AS MEDICINE PFIZER INC 1998-02-17 JP disclosed