SCHEMBL9545027

SCHEMBL9545027

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](c2ccccc2)CC[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.38
POLB P06746 1/20 0.38
FFAR2 O15552 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
SCHEMBL9542806 1.00 ACE (0.38) ACEPOLBFFAR2
SCHEMBL9544357 1.00 ACE (0.38) ACEPOLBFFAR2
SCHEMBL9543391 0.93 HTR1A (0.37)
SCHEMBL9543967 0.93 UCHL1 (0.41)
SCHEMBL9543974 0.93 UCHL1 (0.41)
SCHEMBL9545268 0.93 UCHL1 (0.41)
SCHEMBL9543563 0.93 UCHL1 (0.41)
SCHEMBL9545274 0.93 UCHL1 (0.41)
SCHEMBL9543556 0.93 UCHL1 (0.41)
SCHEMBL9543430 0.92 POLB (0.39) ACEPOLB

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