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SCHEMBL9834722

SCHEMBL9834722

CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 11/20 1.00
▸ CCKAR P32238 1/20 0.82

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
SCHEMBL9833783 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9836090 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9834519 0.86 CCKBR (0.84) CCKBRCCKAR
SCHEMBL9834434 0.86 CCKBR (0.84) CCKBRCCKAR
SCHEMBL9834848 0.86 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9832671 0.85 CCKBR (0.80) CCKBRCCKAR
SCHEMBL9834462 0.84 CCKBR (0.72) CCKBRCCKAR
SCHEMBL9834506 0.81 CCKBR (0.82) CCKBRCCKAR
SCHEMBL9834427 0.81 CCKBR (0.82) CCKBRCCKAR
SCHEMBL9833670 0.81 CCKBR (0.73) 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