SCHEMBL13175706

SCHEMBL13175706

CC(C)(O)CC1CCN(C(=O)c2cc3nc(OCc4ccccc4)ccc3[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.61
▸ GRIN2D O15399 6/20 0.50
▸ GRIN3B O60391 6/20 0.50
▸ GRIN1 Q05586 6/20 0.50
▸ GRIN2A Q12879 6/20 0.50
▸ GRIN2B Q13224 6/20 0.50
▸ GRIN2C Q14957 6/20 0.50
▸ GRIN3A Q8TCU5 6/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL13175651 0.86 AKR1C3 (0.69) AKR1C3MEN1KMT2ANPC1
SCHEMBL13100272 0.84 AKR1C3 (0.75) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13175659 0.81 AKR1C3 (0.70) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3101848 0.77 AKR1C3 (1.00) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13100324 0.76 AKR1C3 (0.77) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13174450 0.75 AKR1C3 (0.79) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3112510 0.75 AKR1C3 (0.80) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13174355 0.75 AKR1C3 (0.75) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13173656 0.73 AKR1C3 (0.79) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13175495 0.73 AKR1C3 (0.54) AKR1C3

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-2010101128-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 — — WO disclosed
Send feedback