SCHEMBL7856085

SCHEMBL7856085

CC(C)(C)OC(=O)NCC1CN(C2CCN(c3ccccc3C#N)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
NAMPT P43490 1/20 0.45
CHRM4 P08173 1/20 0.44
ADAM17 P78536 2/20 0.42
ACACB O00763 7/20 0.42
ACACA Q13085 6/20 0.42
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL24986986 0.90 CKS1B (0.56) DRD2CKS1BSKP1SKP2CHRM4
SCHEMBL7841697 0.85 CTSK (0.47) DRD2CKS1BSKP1SKP2DRD3
SCHEMBL7711219 0.79 DRD2 (0.48) DRD2CKS1BSKP1SKP2CHRM4
SCHEMBL2464322 0.77 KCNA3 (0.57) DRD2CKS1BSKP1SKP2NAMPT
SCHEMBL12835989 0.77 PIM1 (0.58) DRD2CKS1BSKP1SKP2DRD3
SCHEMBL8009381 0.77 CHRM4 (0.49) DRD2CHRM4ADAM17DRD4
SCHEMBL4871504 0.76 AR (0.50) DRD2CKS1BSKP1SKP2NAMPT
SCHEMBL8005302 0.76 KCNQ2 (0.47) DRD2CHRM4ADAM17DRD4DRD3
SCHEMBL3436642 0.75 CKS1B (0.59) DRD2CKS1BSKP1SKP2NAMPT
SCHEMBL8005731 0.74 C5AR1 (0.41) DRD2CHRM4DRD4KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019052-A4 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
US-6143750-A NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS MERCK & CO., INC. (US) 2000-11-07 US disclosed
EP-1019052-A1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-07-19 EP disclosed
WO-1998057640-A1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed