SCHEMBL7039899

SCHEMBL7039899

CCCN1CC(NC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N(CC(F)(F)F)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
P2RX7 Q99572 7/20 0.47
SCN9A Q15858 8/20 0.43
SIGMAR1 Q99720 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
SCHEMBL7039630 0.91 KCNH2 (0.44) KCNH2P2RX7SIGMAR1
SCHEMBL8075815 0.86 KCNH2 (0.59) KCNH2P2RX7SIGMAR1
SCHEMBL7039896 0.85 KCNH2 (0.57) KCNH2P2RX7SCN9ASIGMAR1
SCHEMBL7861681 0.84 KCNH2 (0.60) KCNH2P2RX7SCN9ASIGMAR1
SCHEMBL7036496 0.84 KCNH2 (0.57) KCNH2SCN9A
SCHEMBL7860176 0.80 KCNH2 (0.44) KCNH2P2RX7SIGMAR1
SCHEMBL7046314 0.78 KCNH2 (0.61) KCNH2P2RX7SIGMAR1
SCHEMBL8075702 0.77 ALDH1A1 (0.49) KCNH2P2RX7SIGMAR1
SCHEMBL7036499 0.77 KCNH2 (0.49) KCNH2P2RX7SCN9A
SCHEMBL8075804 0.77 KCNH2 (0.57) KCNH2P2RX7SCN9ASIGMAR1

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