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Sugi Predict / Compounds / SCHEMBL9700966

SCHEMBL9700966

SCHEMBL9700966

C[C@@](Cc1c[nH]c2ccncc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CO)C(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.59
▸ CCKAR P32238 1/20 0.57

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
SCHEMBL9700982 0.89 CCKBR (0.56) CCKBRCCKAR
SCHEMBL9528348 0.77 CCKBR (0.70) CCKBR
SCHEMBL9538843 0.75 CCKBR (0.78) CCKBRCCKAR
SCHEMBL8892928 0.75 TACR1 (0.57) —
SCHEMBL6888256 0.75 CCKBR (0.81) CCKBR
SCHEMBL7820341 0.75 CCKBR (0.81) CCKBR
SCHEMBL8700832 0.75 CCKBR (0.81) CCKBR
SCHEMBL6888439 0.75 CCKBR (0.77) CCKBR
SCHEMBL9700596 0.75 CCKBR (0.72) CCKBR
SCHEMBL9538095 0.75 CCKBR (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 — — WO disclosed