SCHEMBL7207980

SCHEMBL7207980

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.81
CALCRL Q16602 17/20 0.59
RAMP1 O60894 3/20 0.55

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
SCHEMBL8745096 0.94 KCNH2 (0.72) KCNH2CALCRLRAMP1
SCHEMBL8466302 0.93 KCNH2 (0.76) KCNH2CALCRLRAMP1
SCHEMBL8462904 0.92 KCNH2 (0.77) KCNH2CALCRLRAMP1
SCHEMBL8461831 0.89 KCNH2 (1.00) KCNH2CALCRLRAMP1
SCHEMBL8462806 0.89 KCNH2 (1.00) KCNH2CALCRLRAMP1
SCHEMBL8463081 0.86 KCNH2 (0.85) KCNH2CALCRLRAMP1
L-768673 SCHEMBL7207125 0.86 KCNH2 (1.00) KCNH2CALCRLRAMP1
SCHEMBL8462635 0.86 KCNH2 (0.87) KCNH2CALCRLRAMP1
SCHEMBL8462710 0.86 KCNH2 (0.81) KCNH2CALCRLRAMP1
SCHEMBL8617494 0.86 KCNH2 (0.60) KCNH2CALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776208-B1 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO INC (US) 1999-11-10 EP claimed
EP-0776208-A4 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO INC (US) 1997-12-29 EP claimed
US-5658901-A 2,3-dihydro-1-(2,2,2,-trifluoroethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepines MERCK & CO., INC. (US) 1997-08-19 US claimed
EP-0776208-A1 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO. INC. (US) 1997-06-04 EP claimed
WO-1996005839-A1 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO., INC. (US) 1996-02-29 WO claimed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0776208-B1 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO INC (US) 1999-11-10 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
EP-0776208-A4 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO INC (US) 1997-12-29 EP disclosed
US-5658901-A 2,3-dihydro-1-(2,2,2,-trifluoroethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepines MERCK & CO., INC. (US) 1997-08-19 US disclosed
EP-0776208-A1 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO. INC. (US) 1997-06-04 EP disclosed
WO-1996005839-A1 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES MERCK & CO., INC. (US) 1996-02-29 WO disclosed