SCHEMBL6994927

SCHEMBL6994927

CC(C)(C)OC(=O)N1N=CC=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
P2RX4 Q99571 5/20 0.41
CYP11B2 P19099 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM1A O60341 1/20 0.35
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
TSHR P16473 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2979170 0.79 P2RX4 (0.42) P2RX4LMNASMN1; SMN2MAPK1TSHR
SCHEMBL5068751 0.77 P2RX4 (0.42) P2RX4LMNASMN1; SMN2MAPK1TSHR
SCHEMBL7334705 0.76 LMNA (0.51) BCHEP2RX4LMNASMN1; SMN2MAPK1
SCHEMBL11741313 0.75 P2RX4 (0.43) BCHEP2RX4LMNASMN1; SMN2MAPK1
SCHEMBL5806375 0.75 LMNA (0.37) P2RX4LMNASMN1; SMN2MAPK1TSHR
SCHEMBL5172363 0.74 BCHE (0.46) BCHEP2RX4GPR119LMNASMN1; SMN2
SCHEMBL3100027 0.74 P2RX4 (0.54) BCHEP2RX4LMNASMN1; SMN2MAPK1
SCHEMBL15865153 0.72 LMNA (0.40) P2RX4LMNASMN1; SMN2MAPK1TSHR
SCHEMBL27285585 0.72 LMNA (0.40) P2RX4LMNAMAPK1TSHRSCN4A
SCHEMBL7339446 0.70 LMNA (0.40) P2RX4LMNAMAPK1TSHRSCN4A

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 18 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
CN-1074926-C Antiarrhythmic benzodiazepines MERCK & CO INC (US) 2001-11-21 CN 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
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 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
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 CN 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