SCHEMBL7819925

SCHEMBL7819925

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(=O)OCOC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.83
CCKBR P32239 1/20 0.83

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
SCHEMBL7821051 0.95 CCKAR (0.85) CCKARCCKBR
SCHEMBL7819567 0.94 CCKAR (0.84) CCKARCCKBR
SCHEMBL7817618 0.94 CCKAR (0.84) CCKARCCKBR
SCHEMBL7824789 0.94 CCKAR (0.83) CCKARCCKBR
SCHEMBL7818616 0.93 CCKAR (0.82) CCKARCCKBR
Ci-988 SCHEMBL6895780 0.91 CCKAR (1.00) CCKARCCKBR
Ci-988 SCHEMBL29454633 0.91 CCKAR (1.00) CCKARCCKBR
Ci-988 SCHEMBL6895781 0.91 CCKAR (1.00) CCKARCCKBR
Ci-988 SCHEMBL31237525 0.91 CCKAR (1.00) CCKARCCKBR
SCHEMBL7818769 0.90 CCKAR (0.77) CCKARCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546108-B1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER LAMBERT CO (US) 2001-11-07 EP disclosed