SCHEMBL9543354

SCHEMBL9543354

CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.51
ACHE P22303 2/20 0.46
CCKBR P32239 4/20 0.45

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
SCHEMBL9544884 0.96 BCHE (0.47) BCHEACHECCKBR
SCHEMBL9545328 0.94 BCHE (0.51) BCHEACHECCKBR
SCHEMBL9545002 0.93 BCHE (0.49) BCHEACHECCKBR
SCHEMBL9543211 0.92 BCHE (0.49) BCHEACHECCKBR
SCHEMBL9544978 0.92 TACR1 (0.48) BCHECCKBR
SCHEMBL9545282 0.92 TACR1 (0.48) BCHECCKBR
SCHEMBL9545068 0.90 BCHE (0.47) BCHEACHECCKBR
SCHEMBL9543217 0.90 BCHE (0.47) BCHEACHE
SCHEMBL9544237 0.90 BCHE (0.48) BCHEACHECCKBR
SCHEMBL9544109 0.88 BCHE (0.49) BCHEACHECCKBR

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