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SCHEMBL9544017

SCHEMBL9544017

CC(C)(C)CCOC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL9544030 1.00 ACE (0.37) ACEPOLB
SCHEMBL9542933 0.92 ACE (0.38) ACEPOLB
SCHEMBL9543801 0.91 BCL2 (0.32) —
SCHEMBL9544357 0.88 ACE (0.38) ACEPOLB
SCHEMBL9545027 0.88 ACE (0.38) ACEPOLB
SCHEMBL9542806 0.88 ACE (0.38) ACEPOLB
SCHEMBL9542682 0.88 ACE (0.35) ACEPOLB
SCHEMBL9543554 0.86 ACE (0.40) ACEPOLB
SCHEMBL9545339 0.85 PREP (0.36) —
SCHEMBL9545343 0.85 PREP (0.36) —

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