SCHEMBL7036498

SCHEMBL7036498

CC(C)N1CC(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)N(C(C)C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
SCN9A Q15858 14/20 0.43
POLQ O75417 3/20 0.41
XIAP P98170 1/20 0.37
P2RX7 Q99572 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
SCHEMBL7854689 0.89 KCNH2 (0.47) KCNH2SCN9APOLQP2RX7
SCHEMBL7036494 0.89 KCNH2 (0.57) KCNH2SCN9APOLQXIAP
SCHEMBL7041178 0.86 SIGMAR1 (0.44) SCN9AP2RX7
SCHEMBL8613701 0.86 KCNH2 (0.48) KCNH2POLQP2RX7
SCHEMBL7037039 0.79 P2RX7 (0.48) KCNH2XIAPP2RX7
SCHEMBL8760273 0.76 KCNH2 (0.75) KCNH2
SCHEMBL7036499 0.76 KCNH2 (0.49) KCNH2SCN9APOLQXIAPP2RX7
SCHEMBL7854692 0.74 KCNH2 (0.49) KCNH2SCN9APOLQXIAPP2RX7
SCHEMBL7036496 0.74 KCNH2 (0.57) KCNH2SCN9APOLQXIAP
SCHEMBL7744698 0.72 KCNH2 (0.47) KCNH2SCN9APOLQXIAPP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833819-B1 NOVEL N-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 2003-03-26 EP claimed
EP-0833819-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 1998-11-11 EP claimed
EP-0833819-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES Merck & Co., Inc. (US) 1998-04-08 EP claimed
US-5691332-A N-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-3-amides MERCK & CO., INC. (US) 1997-11-25 US claimed
WO-1996040656-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO claimed
EP-0833819-B1 NOVEL N-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 2003-03-26 EP disclosed
EP-0833819-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 1998-11-11 EP disclosed
EP-0833819-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES Merck & Co., Inc. (US) 1998-04-08 EP disclosed
US-5691332-A N-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-3-amides MERCK & CO., INC. (US) 1997-11-25 US disclosed
WO-1996040656-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed