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Sugi Predict / Compounds / SCHEMBL9705063

SCHEMBL9705063

SCHEMBL9705063

CC(Cc1c[nH]c2ccccc12)(C(=O)NCC(NC(=O)CCc1nnn[nH]1)c1ccccc1)N(C(=O)O)C1CCC2CCCC1C2.[CH2]

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.48
▸ CCKBR P32239 1/20 0.48

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
SCHEMBL9539016 0.78 CCKAR (0.48) CCKARCCKBR
SCHEMBL9539010 0.78 CCKAR (0.48) CCKARCCKBR
SCHEMBL7048731 0.77 CCKAR (0.56) CCKARCCKBR
SCHEMBL7048733 0.77 CCKAR (0.56) CCKARCCKBR
SCHEMBL8829888 0.77 CCKAR (0.56) CCKARCCKBR
SCHEMBL9646213 0.76 CCKAR (0.49) CCKARCCKBR
SCHEMBL9538146 0.72 CCKAR (0.45) CCKARCCKBR
SCHEMBL7665965 0.72 MEN1 (0.44) CCKARCCKBR
SCHEMBL9614466 0.71 CCKBR (0.42) CCKBR
SCHEMBL9538153 0.70 CCKAR (0.53) 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
WO-1992004038-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 — — WO disclosed