Sugi Predict

Sugi Predict / Compounds / SCHEMBL9542916

SCHEMBL9542916

SCHEMBL9542916

CC(=O)N([C@@H](CCc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.39
▸ ABCB11 O95342 1/20 0.36

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
SCHEMBL9542908 0.79 ACE (0.45) ACEABCB11
SCHEMBL9544802 0.79 ACE (0.46) ACEABCB11
SCHEMBL9542714 0.76 PREP (0.41) ACE
SCHEMBL9543406 0.75 PTPN1 (0.38) ACE
SCHEMBL9542649 0.74 PREP (0.39) ACE
SCHEMBL9544041 0.74 OPRD1 (0.40) —
SCHEMBL9543218 0.73 CYP1A2 (0.44) ACE
SCHEMBL9544279 0.73 CTSK (0.52) ACEABCB11
SCHEMBL9544094 0.72 OPRD1 (0.39) —
SCHEMBL9544396 0.72 OPRD1 (0.39) —

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO disclosed