SCHEMBL7967422

SCHEMBL7967422

CC(C)(C)OC(=O)C1CCC(CNC2CCN(c3ccccc3C#N)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 6/20 0.46
CHRM4 P08173 1/20 0.44
DRD2 P14416 5/20 0.41
ADAM17 P78536 3/20 0.40
KDM1A O60341 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
KCNA3 P22001 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
RBP4 P02753 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
SCHEMBL7711219 0.79 DRD2 (0.48) CHRM4DRD2DRD4DRD3KCNA3
SCHEMBL24986986 0.79 CKS1B (0.56) CHRM4DRD2ADAM17DRD4DRD3
SCHEMBL2464322 0.77 KCNA3 (0.57) DRD2KDM1ADRD3KCNA3
SCHEMBL7955964 0.76 KDM1A (0.43) NPY2RCHRM4DRD2ADAM17KDM1A
SCHEMBL20139850 0.75 KCNMA1 (0.50) CHRM4DRD2DRD4DRD3
SCHEMBL12835989 0.75 PIM1 (0.58) DRD2DRD3KCNA3
SCHEMBL20149778 0.73 DRD4 (0.43) NPY2RCHRM4DRD2KDM1ADRD4
SCHEMBL31042542 0.72 DRD4 (0.45) CHRM4DRD2DRD4DRD3KDM4E
SCHEMBL7523188 0.72 HPGD (0.58) KDM4EPKM
SCHEMBL7715922 0.72 DRD4 (0.47) CHRM4DRD2DRD4DRD3KDM4E

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-6214832-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-04-10 US disclosed