SCHEMBL9544374

SCHEMBL9544374

CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC(=O)N1CCCC1)CCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.45
CCKBR P32239 4/20 0.44
ACHE P22303 2/20 0.42

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
SCHEMBL9545068 0.93 BCHE (0.47) BCHEALDH1A1KMT2ACCKBRACHE
SCHEMBL9545328 0.91 BCHE (0.51) BCHECCKBRACHE
SCHEMBL9544109 0.89 BCHE (0.49) BCHECCKBRACHE
SCHEMBL9545029 0.87 TACR1 (0.47) BCHEALDH1A1KMT2ACCKBR
SCHEMBL9543354 0.86 BCHE (0.51) BCHECCKBRACHE
SCHEMBL9544876 0.86 BCHE (0.42) BCHEACHE
SCHEMBL9544842 0.85 BCHE (0.44) BCHECCKBRACHE
SCHEMBL9543211 0.85 BCHE (0.49) BCHECCKBRACHE
SCHEMBL9544444 0.85 BCHE (0.43) BCHEACHE
SCHEMBL9542603 0.84 ALDH1A1 (0.47) BCHEALDH1A1CCKBRACHE

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