SCHEMBL9526063

SCHEMBL9526063

CC(C)C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 1.00
CHRM1 P11229 8/20 0.78
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
ALB P02768 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL21272204 1.00 CCKBR (1.00) CCKBRCHRM1MEN1LMNAALB
SCHEMBL11822552 1.00 CCKBR (1.00) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272084 0.87 CHRM1 (1.00) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272085 0.87 CHRM1 (1.00) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272212 0.87 CCKBR (0.77) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272207 0.87 CCKBR (0.77) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272087 0.86 CCKBR (0.75) CCKBRCHRM1
SCHEMBL21272090 0.86 CCKBR (0.75) CCKBRCHRM1
SCHEMBL21272180 0.85 CHRM1 (0.77) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272182 0.85 CHRM1 (0.77) CCKBRCHRM1MEN1LMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed