SCHEMBL21397262

SCHEMBL21397262

CC(C)(C)OC(=O)NC1CCN(c2ccc3c(c2)CCCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.42
ACACB O00763 1/20 0.42
DRD2 P14416 3/20 0.42
KDM4D Q6B0I6 7/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KCNA3 P22001 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39

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
SCHEMBL21397260 0.86 MAPT (0.47) CKS1BSKP1SKP2SUV39H2ACACB
SCHEMBL21397177 0.85 DRD2 (0.46) CKS1BSKP1SKP2SUV39H2ACACB
SCHEMBL12208580 0.80 MAPT (0.50) KMT2ANAMPT
SCHEMBL21397175 0.79 DRD2 (0.48) CKS1BSKP1SKP2SUV39H2ACACB
SCHEMBL27655935 0.76 SUV39H2 (0.54) CKS1BSKP1SKP2SUV39H2DRD2
SCHEMBL14892758 0.76 CKS1B (0.48) CKS1BSKP1SKP2SUV39H2DRD2
SCHEMBL25081187 0.75 ACACB (0.48) CKS1BSKP1SKP2SUV39H2ACACB
SCHEMBL30194618 0.75 ACACB (0.48) CKS1BSKP1SKP2SUV39H2ACACB
SCHEMBL3130708 0.75 CKS1B (0.52) CKS1BSKP1SKP2SUV39H2DRD2
SCHEMBL32665409 0.75 ME3 (0.54) CKS1BSKP1SKP2SUV39H2DRD2

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