SCHEMBL8037080

SCHEMBL8037080

Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1CN1C(C)CCC1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8037105 0.77 CFB (0.48) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8037118 0.76 CFB (0.50) HSD17B10MEN1KMT2A
SCHEMBL8040463 0.76 CFB (0.50) HSD17B10MEN1KMT2A
SCHEMBL7565330 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8604373 0.74 HTR7 (0.38) HSD17B10MEN1KMT2A
SCHEMBL8634867 0.70 GRIN2D (0.44) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7948487 0.70 HSD17B10 (0.44) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8604377 0.70 KDM4E (0.31) HSD17B10GRIA1GRIA2GRIA3GRIA4
SCHEMBL8169596 0.68 HSD17B10 (0.42) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7957683 0.66 GRIN2D (0.50) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A

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
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed