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Sugi Predict / Compounds / SCHEMBL8946676

SCHEMBL8946676

SCHEMBL8946676

O=C(Nc1ccc(F)cc1)NC1C(=O)N(CC(=O)N2CCCC2)c2ccccc2N(C2CCCCC2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 16/20 1.00
▸ CCKAR P32238 5/20 1.00

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
SCHEMBL14520869 1.00 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8946830 0.85 CCKBR (0.74) CCKBRCCKAR
SCHEMBL8946684 0.85 CCKBR (0.83) CCKBRCCKAR
SCHEMBL8946969 0.77 CCKAR (0.61) CCKBRCCKAR
SCHEMBL1387839 0.73 CCKBR (1.00) CCKBR
SCHEMBL21586582 0.71 CCKBR (0.57) CCKBRCCKAR
SCHEMBL6178977 0.71 CCKBR (0.57) CCKBRCCKAR
SCHEMBL6176331 0.71 CCKBR (0.55) CCKBRCCKAR
SCHEMBL8946841 0.71 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8946749 0.71 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
US-5585376-A 1,5-benzodiazepine derivatives having CCK and/or gastrin antagonistic activity GLAXO WELLCOME INC. (US) 1996-12-17 — — US claimed
EP-0694040-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 — — EP claimed
WO-1994024151-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 — — WO claimed
US-5585376-A 1,5-benzodiazepine derivatives having CCK and/or gastrin antagonistic activity GLAXO WELLCOME INC. (US) 1996-12-17 — — US disclosed