SCHEMBL7668381

SCHEMBL7668381

CC(C)COC(=O)OCC(Cc1ccccc1)NC(=O)C(C)(Cc1cccnc1)NC(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.48

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
SCHEMBL9700976 0.75 CCKBR (0.39) CCKBR
SCHEMBL9700947 0.74 CCKBR (0.52) CCKBR
SCHEMBL7663025 0.72 CCKBR (0.71) CCKBR
SCHEMBL9400038 0.71 CCKBR (0.51) CCKBR
SCHEMBL9399753 0.70 CYP3A4 (0.45)
SCHEMBL7668755 0.70 CCKBR (0.88) CCKBR
SCHEMBL6895794 0.70 CCKBR (0.88) CCKBR
SCHEMBL7820435 0.68 CCKBR (0.63) CCKBR
SCHEMBL6896752 0.67 CCKBR (0.73) CCKBR
SCHEMBL7665345 0.67 CCKBR (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO claimed
US-6492531-B1 THE INVENTION CONCERNS CHOLECYSTOKININ (CCK) ANTAGONISTS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS. ESPECIALLY USEFUL ARE CCK.SUB.B ANTAGONISTS SUCH AS CI-988. WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
WO-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed