SCHEMBL12333325

SCHEMBL12333325

CC(C)(C)OC(=O)N1CCc2cc3c(c(-c4ccccc4)c2CC1)NC(=O)CC3

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.43
ESR2 Q92731 1/20 0.41
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
DDB1 Q16531 2/20 0.40
USP30 Q70CQ3 1/20 0.40
BACE1 P56817 3/20 0.40
KIT P10721 1/20 0.39
SCD5 Q86SK9 1/20 0.39
UCHL1 P09936 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PDK4 Q16654 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL12110375 0.84 MAPK1 (0.45) CRBNESR2MAPK1NR1H2USP30
SCHEMBL1293437 0.83 ESR2 (0.43) CRBNESR2MAPK1NR1H2DDB1
SCHEMBL1294501 0.82 ESR2 (0.45) CRBNESR2MAPK1NR1H2DDB1
SCHEMBL18648638 0.82 ESR2 (0.41) CRBNESR2MAPK1NR1H2USP30
SCHEMBL12110094 0.78 USP30 (0.41) CRBNESR2MAPK1NR1H2USP30
SCHEMBL12106038 0.76 CKS1B (0.38) ESR2NR1H2USP30KITUCHL1
SCHEMBL14115666 0.76 ESR2 (0.49) ESR2MAPK1NR1H2UCHL1CKS1B
SCHEMBL1294136 0.75 ESR2 (0.50) CRBNESR2MAPK1NR1H2DDB1
SCHEMBL12110154 0.74 ESR2 (0.40) CRBNESR2MAPK1NR1H2USP30
SCHEMBL12110033 0.74 MAPK1 (0.39) CRBNESR2MAPK1NR1H2UCHL1

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-2011111817-A1 BENZAZEPINE COMPOUND アステラス製薬株式会社 (JP) 2011-09-15 WO disclosed