SCHEMBL9842493

SCHEMBL9842493

Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 1.00
KCNH2 Q12809 1/20 0.81

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
SCHEMBL9842500 1.00 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9866668 0.93 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9865402 0.92 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9865032 0.91 CCKBR (1.00) CCKBR
SCHEMBL9865023 0.91 CCKBR (1.00) CCKBR
SCHEMBL9867659 0.91 CCKBR (1.00) CCKBR
SCHEMBL14180363 0.91 CCKBR (1.00) CCKBR
L-365260 SCHEMBL31616154 0.90 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL31616010 0.90 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL29403509 0.90 CCKBR (1.00) CCKBRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 EP claimed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 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