SCHEMBL7207946

SCHEMBL7207946

O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 1.00
CALCRL Q16602 13/20 0.55
CCKBR P32239 3/20 0.52
RAMP1 O60894 3/20 0.52

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
SCHEMBL8745078 0.94 KCNH2 (0.89) KCNH2CALCRLCCKBRRAMP1
SCHEMBL8463081 0.88 KCNH2 (0.85) KCNH2CALCRLCCKBRRAMP1
SCHEMBL8462635 0.87 KCNH2 (0.87) KCNH2CALCRLCCKBRRAMP1
SCHEMBL8462806 0.87 KCNH2 (1.00) KCNH2CALCRLRAMP1
SCHEMBL8461831 0.87 KCNH2 (1.00) KCNH2CALCRLRAMP1
SCHEMBL8612435 0.86 KCNH2 (0.76) KCNH2CALCRLRAMP1
SCHEMBL8462710 0.85 KCNH2 (0.81) KCNH2CALCRLRAMP1
SCHEMBL8462992 0.84 KCNH2 (0.82) KCNH2CALCRLRAMP1
L-768673 SCHEMBL7207125 0.84 KCNH2 (1.00) KCNH2CALCRLCCKBRRAMP1
SCHEMBL8761280 0.83 KCNH2 (0.71) KCNH2CALCRLCCKBRRAMP1

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-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP claimed
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-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP claimed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO 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-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
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