Sugi Predict

Sugi Predict / Compounds / SCHEMBL7662407

SCHEMBL7662407

SCHEMBL7662407

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CNC(=O)CCCC(=O)O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.70
▸ CCKAR P32238 2/20 0.69

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
SCHEMBL6895026 1.00 CCKBR (0.70) CCKBRCCKAR
SCHEMBL6894174 0.96 CCKAR (0.73) CCKBRCCKAR
SCHEMBL7664110 0.96 CCKAR (0.73) CCKBRCCKAR
SCHEMBL7665345 0.93 CCKBR (0.73) CCKBR
SCHEMBL6897895 0.93 CCKBR (0.73) CCKBR
SCHEMBL7672677 0.88 CCKBR (0.75) CCKBR
SCHEMBL7668755 0.88 CCKBR (0.88) CCKBR
SCHEMBL6895794 0.88 CCKBR (0.88) CCKBR
SCHEMBL6895614 0.87 CCKBR (0.69) CCKBR
SCHEMBL6896184 0.87 CCKBR (0.69) 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
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 claimed
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