SCHEMBL7711219

SCHEMBL7711219

CC(C)(C)OC(=O)NCCNC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.48
CHRM4 P08173 1/20 0.47
KCNA3 P22001 1/20 0.45
DRD4 P21917 4/20 0.44
DRD3 P35462 3/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
EPHX1 P07099 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL7715921 0.86 FFAR4 (0.40) DRD2CHRM4KCNA3DRD4DRD3
SCHEMBL7714679 0.85 CHRM4 (0.49) DRD2CHRM4KCNA3
SCHEMBL7716756 0.85 DRD2 (0.51) DRD2DRD3KDM4EEPHX1PIM1
SCHEMBL2464322 0.85 KCNA3 (0.57) DRD2KCNA3DRD3PIM1PIM3
SCHEMBL7932948 0.85 OPRL1 (0.44) DRD2KCNA3DRD4ALDH1A1EPHX1
SCHEMBL7930762 0.85 OPRL1 (0.44) DRD2KCNA3DRD4ALDH1A1EPHX1
SCHEMBL7936702 0.85 OPRL1 (0.44) DRD2KCNA3DRD4ALDH1A1EPHX1
SCHEMBL24986986 0.84 CKS1B (0.56) DRD2CHRM4DRD4DRD3KDM4E
SCHEMBL7711061 0.84 CHRM4 (0.48) CHRM4KCNA3KDM4E
SCHEMBL7716782 0.83 DRD2 (0.69) DRD2DRD4DRD3

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-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed