SCHEMBL9834848

SCHEMBL9834848

CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(O)c(I)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.78
CCKAR P32238 1/20 0.77

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
SCHEMBL9834722 0.86 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9832671 0.82 CCKBR (0.80) CCKBRCCKAR
SCHEMBL9833670 0.78 CCKBR (0.73) CCKBRCCKAR
SCHEMBL9834282 0.78 CCKBR (0.72) CCKBRCCKAR
Hydrochloric Acid SCHEMBL9833939 0.76 CCKBR (0.69) CCKBRCCKAR
SCHEMBL9836392 0.76 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9833116 0.76 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9833292 0.76 CCKBR (0.82) CCKBRCCKAR
SCHEMBL10520689 0.76 CCKBR (0.82) CCKBRCCKAR
SCHEMBL9836090 0.76 CCKBR (1.00) CCKBRCCKAR

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-0442878-A4 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS 1991-10-23 EP disclosed
EP-0442878-A1 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-08-28 EP disclosed
WO-1989010355-A1 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1989-11-02 WO disclosed
EP-0336356-A2 Derivatives of tryptophan as CCK antagonists ABBOTT LABORATORIES (US) 1989-10-11 EP disclosed