SCHEMBL8024304

SCHEMBL8024304

CC(C)(C)OC(=O)NC1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KCNA3 P22001 1/20 0.52
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.45
HSD11B1 P28845 1/20 0.44
EPHX2 P34913 1/20 0.44
CTSK P43235 2/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
BTK Q06187 1/20 0.41
CHRM4 P08173 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 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
SCHEMBL8101516 0.83 MEN1 (0.58) KMT2AMEN1KCNA3KDM1AHSD11B1
SCHEMBL18836570 0.81 KCNA3 (0.40) KCNA3KDM1AMAOBJAK2JAK1
SCHEMBL16905907 0.81 KCNA3 (0.40) KCNA3KDM1AMAOBJAK2JAK1
SCHEMBL13688478 0.81 HSD11B1 (0.47) KMT2AMEN1JAK2JAK1HSD11B1
SCHEMBL3864735 0.80 MEN1 (0.60) KMT2AMEN1KDM1AMAOBCTSK
SCHEMBL16897491 0.78 KCNA3 (0.39) KMT2AMEN1KCNA3KDM1AMAOB
SCHEMBL16905915 0.78 KCNA3 (0.39) KMT2AMEN1KCNA3KDM1AMAOB
SCHEMBL15167396 0.77 JAK3 (0.40) KCNA3KDM1AMAOBJAK2JAK1
SCHEMBL5329140 0.76 HSD11B1 (0.50) KMT2AMEN1HSD11B1CHRM4NPC1
SCHEMBL8029953 0.74 MEN1 (0.54) KMT2AMEN1KDM1AHSD11B1NPC1

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-1014973-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-09-20 EP disclosed
EP-1014973-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-07-05 EP disclosed
US-6057350-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 2000-05-02 US disclosed
WO-1998057632-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed