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Sugi Predict / Compounds / SCHEMBL9518839

SCHEMBL9518839

SCHEMBL9518839

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

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.65
▸ CCKBR P32239 1/20 0.65

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
SCHEMBL7821678 0.98 CCKAR (0.62) CCKARCCKBR
SCHEMBL8711042 0.97 CCKAR (0.61) CCKARCCKBR
SCHEMBL8712056 0.97 CCKAR (0.61) CCKARCCKBR
SCHEMBL8716706 0.96 CCKAR (0.61) CCKARCCKBR
SCHEMBL8712033 0.96 CCKAR (0.61) CCKARCCKBR
SCHEMBL7817929 0.95 CCKAR (0.64) CCKARCCKBR
SCHEMBL8711079 0.95 CCKAR (0.60) CCKARCCKBR
SCHEMBL7810307 0.95 CCKAR (0.59) CCKARCCKBR
SCHEMBL8716710 0.92 CCKAR (0.57) CCKARCCKBR
SCHEMBL7811366 0.86 CCKAR (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546108-A4 PRO-DRUGS FOR CCK ANTAGONISTS — 1993-09-22 — — EP disclosed
EP-0546108-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-06-16 — — EP disclosed