SCHEMBL6959306

SCHEMBL6959306

CC(C)(C)OC(=O)NC1CCN([C@H]2CC[C@@H](c3ccccc3C#N)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
KCNA3 P22001 1/20 0.47
KDM4D Q6B0I6 3/20 0.43
CCRL2 O00421 1/20 0.43
CCR2 P41597 1/20 0.43
KCNH2 Q12809 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 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
SCHEMBL7956176 1.00 CTSK (0.50) CTSKKCNA3KDM4DCCRL2CCR2
SCHEMBL6959302 1.00 CTSK (0.50) CTSKKCNA3KDM4DCCRL2CCR2
SCHEMBL7841697 0.81 CTSK (0.47) CTSKKCNA3KDM4DOPRM1OPRD1
SCHEMBL1808105 0.80 CTSK (0.61) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL1699915 0.80 CTSK (0.61) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL1699916 0.80 CTSK (0.61) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL12835989 0.79 PIM1 (0.58) CTSKKCNA3KDM4DSUV39H2KMT2A
SCHEMBL803320 0.78 CTSK (0.58) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL2464322 0.77 KCNA3 (0.57) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL7964848 0.77 DRD4 (0.44) CTSKKCNA3OPRM1OPRD1OPRK1

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-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed