SCHEMBL21397264

SCHEMBL21397264

COc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
SUV39H2 Q9H5I1 7/20 0.47
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
MET P08581 1/20 0.44
CFTR P13569 1/20 0.42
PIK3CD O00329 1/20 0.42
DRD2 P14416 1/20 0.42
KCNA3 P22001 1/20 0.42
CTSK P43235 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
SCHEMBL4760818 0.87 CKS1B (0.56) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL4827769 0.86 CKS1B (0.55) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL15252426 0.85 CKS1B (0.54) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL21698701 0.84 CKS1B (0.53) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL16691339 0.83 SUV39H2 (0.51) CKS1BSKP1SKP2SUV39H2CFTR
SCHEMBL18661974 0.83 CKS1B (0.50) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL17557723 0.82 MAPT (0.56) CKS1BSKP1SKP2SUV39H2GPR119
SCHEMBL15252451 0.81 MAPT (0.51) CKS1BSKP1SKP2SUV39H2CHRNB2
SCHEMBL18661944 0.81 CKS1B (0.50) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL7487866 0.81 CKS1B (0.50) CKS1BSKP1SKP2SUV39H2CHRNB2

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-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed