SCHEMBL6992779

SCHEMBL6992779

CCOC(=O)C1(C(=O)OCC)CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 6/20 0.42
ACACB O00763 2/20 0.38
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2206945 0.91 SMN1; SMN2 (0.46) USP2SMN1; SMN2GPR119ADORA1L3MBTL1
SCHEMBL25737087 0.86 USP2 (0.42) USP2SMN1; SMN2GPR119ADORA1L3MBTL1
SCHEMBL24951161 0.84 SMN1; SMN2 (0.43) USP2SMN1; SMN2ADORA1HPGDTSHR
SCHEMBL605185 0.84 USP2 (0.43) USP2SMN1; SMN2ADORA1L3MBTL1HPGD
SCHEMBL15958599 0.83 USP2 (0.42) USP2SMN1; SMN2GPR119ADORA1L3MBTL1
SCHEMBL346995 0.83 USP2 (0.56) USP2SMN1; SMN2GPR119ACACBHPGD
SCHEMBL24940831 0.83 USP2 (0.41) USP2SMN1; SMN2ACACBADORA1L3MBTL1
SCHEMBL20066129 0.81 CYP11B2 (0.48) USP2SMN1; SMN2GPR119ACACBL3MBTL1
SCHEMBL1147479 0.81 SMN1; SMN2 (0.45) USP2SMN1; SMN2GPR119ADORA1L3MBTL1
SCHEMBL442966 0.81 SMN1; SMN2 (0.45) USP2SMN1; SMN2ACACBADORA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 EP disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5597818-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-28 US disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed