SCHEMBL5804293

SCHEMBL5804293

C[CH]NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
EPHX2 P34913 5/20 0.41
EPHX1 P07099 2/20 0.41
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL14313766 0.78 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3085164 0.74 EPHX2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL812583 0.74 EPHX2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4454419 0.70 EPHX2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8170347 0.69 KMT2A (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL178462 0.69 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27499677 0.69 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11148894 0.67 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1072721 0.67 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3076057 0.67 SIGMAR1 (0.41) 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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed