SCHEMBL8075696

SCHEMBL8075696

CC(C)N1C(=O)C(NC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N(C(C)C)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
P2RX7 Q99572 15/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL8075804 0.90 KCNH2 (0.57) SIGMAR1P2RX7KCNH2KMT2A
SCHEMBL8075665 0.89 KCNH2 (0.49) SIGMAR1P2RX7KCNH2MAPT
SCHEMBL7037039 0.86 P2RX7 (0.48) SIGMAR1P2RX7KCNH2
SCHEMBL7854880 0.83 SIGMAR1 (0.45) SIGMAR1P2RX7KCNH2
SCHEMBL8075698 0.83 KCNH2 (0.44) SIGMAR1KCNH2
SCHEMBL7046124 0.82 CCKBR (0.49) P2RX7KCNH2
SCHEMBL8075702 0.81 ALDH1A1 (0.49) SIGMAR1P2RX7KCNH2KMT2A
SCHEMBL8761280 0.79 KCNH2 (0.71) KCNH2
SCHEMBL8616109 0.79 SIGMAR1 (0.55) SIGMAR1P2RX7KCNH2KMT2AMAPT
SCHEMBL7044669 0.76 CCKBR (0.51) KCNH2

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-0832075-B1 N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES MERCK & CO INC (US) 2000-10-11 EP claimed
EP-0832075-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES MERCK & CO INC (US) 1998-10-07 EP claimed
EP-0832075-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES Merck & Co., Inc. (US) 1998-04-01 EP claimed
US-5691331-A N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3yl) -3- amides MERCK & CO., INC. (US) 1997-11-25 US claimed
WO-1996040655-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO claimed
EP-0832075-B1 N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES MERCK & CO INC (US) 2000-10-11 EP disclosed
EP-0832075-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES MERCK & CO INC (US) 1998-10-07 EP disclosed
EP-0832075-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES Merck & Co., Inc. (US) 1998-04-01 EP disclosed
US-5691331-A N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3yl) -3- amides MERCK & CO., INC. (US) 1997-11-25 US disclosed
WO-1996040655-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed