SCHEMBL7704701

SCHEMBL7704701

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
PDK2 Q15119 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
KDM1A O60341 1/20 0.41
F11 P03951 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
SCHEMBL7710592 0.87 ADRA1D (0.46) GPR119TSHRALOX15ATMPDK2
SCHEMBL12877871 0.87 PDK2 (0.44) GPR119TSHRALOX15ATMPDK2
SCHEMBL20140553 0.87 GPR119 (0.50) GPR119TSHRALOX15ATMEGLN2
SCHEMBL29446735 0.86 GPR119 (0.44) GPR119TSHRALOX15ATMPDK2
SCHEMBL21855700 0.86 PDK2 (0.43) GPR119TSHRALOX15ATMPDK2
SCHEMBL4362609 0.86 GPR119 (0.44) GPR119TSHRALOX15ATMPDK2
SCHEMBL29505978 0.86 PDK2 (0.43) GPR119TSHRALOX15ATMPDK2
SCHEMBL31158306 0.86 ADRA1D (0.45) GPR119TSHRALOX15ATMPDK2
SCHEMBL1513325 0.86 ADRA1D (0.45) GPR119TSHRALOX15ATMPDK2
SCHEMBL3254660 0.85 ADRA1D (0.47) GPR119TSHRALOX15ATMPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358959-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-19 US disclosed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000043374-A1 POLYAZANAPHTHALENONE DERIVATIVES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-07-27 WO disclosed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed