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SCHEMBL9865402

SCHEMBL9865402

Cc1cc(C)cc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 19/20 1.00
▸ KCNH2 Q12809 1/20 0.85

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
L-365260 SCHEMBL9843248 0.92 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL31616154 0.92 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL31616010 0.92 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL29694194 0.92 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL29403509 0.92 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL1650330 0.92 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL5931098 0.92 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9842500 0.92 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9842493 0.92 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9866668 0.92 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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