SCHEMBL9524770

SCHEMBL9524770

CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 1.00
CCKAR P32238 14/20 1.00
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB2 P07550 1/20 0.47
TSPO P30536 1/20 0.47
GLP1R P43220 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL9524763 1.00 CCKBR (1.00) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL9525149 0.78 CCKBR (0.66) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL8746513 0.78 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9525158 0.78 CCKBR (0.66) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL8746516 0.78 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL10681389 0.78 CCKBR (0.67) CCKBRCCKAR
SCHEMBL10434945 0.76 CCKBR (0.61) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL8741334 0.73 CCKBR (0.58) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL8722186 0.72 CCKBR (0.60) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL644107 0.72 CCKBR (0.56) CCKBRCCKARMEN1ALDH1A1KMT2A

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 7 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 claimed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
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