SCHEMBL9865997

SCHEMBL9865997

CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 1.00

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
SCHEMBL7672145 0.93 CCKBR (1.00) CCKBR
SCHEMBL9868733 0.86 CCKBR (1.00) CCKBR
SCHEMBL9867257 0.83 CCKBR (1.00) CCKBR
SCHEMBL9866172 0.83 CCKBR (1.00) CCKBR
SCHEMBL9866033 0.83 CCKBR (1.00) CCKBR
SCHEMBL9865023 0.82 CCKBR (1.00) CCKBR
SCHEMBL9865032 0.82 CCKBR (1.00) CCKBR
SCHEMBL9597067 0.81 CCKBR (0.80) CCKBR
SCHEMBL9865215 0.81 CCKBR (1.00) CCKBR
SCHEMBL9595792 0.81 CCKBR (0.76) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed
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