SCHEMBL9600943

SCHEMBL9600943

CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 1.00
NPY1R P25929 2/20 0.61

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
SCHEMBL7486156 0.84 CCKBR (0.72) CCKBRNPY1R
SCHEMBL7486160 0.84 CCKBR (0.72) CCKBRNPY1R
SCHEMBL8903724 0.83 CCKBR (0.71) CCKBR
SCHEMBL8921905 0.81 CCKBR (0.78) CCKBR
SCHEMBL7564700 0.77 CCKBR (0.63) CCKBR
SCHEMBL7598390 0.77 CCKBR (0.63) CCKBR
SCHEMBL8679247 0.76 CCKBR (0.61) CCKBR
SCHEMBL8283797 0.76 CCKBR (0.61) CCKBR
SCHEMBL8673708 0.76 ACE (0.66) CCKBRNPY1R
SCHEMBL11050154 0.76 ACE (0.66) CCKBRNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5105667-A None JP disclosed
JP-H05105667-A BENZOLACTAM ANALOGUE AS ANTAGONIST OF CCK MERCK & CO INC 1993-04-27 JP disclosed