SCHEMBL9544104

SCHEMBL9544104

COC(=O)CN(CCC1CCCCC1)C(=O)[C@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.45
ACHE P22303 2/20 0.45
SIGMAR1 Q99720 2/20 0.42
BRS3 P32247 1/20 0.42
MC4R P32245 3/20 0.42
MC3R P41968 3/20 0.42
MC5R P33032 1/20 0.42
GHSR Q92847 1/20 0.41

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
SCHEMBL9543432 0.92 BCHE (0.45) BCHEACHEMC4RMC3R
SCHEMBL9543437 0.92 BCHE (0.45) BCHEACHEMC4RMC3R
SCHEMBL9543217 0.92 BCHE (0.47) BCHEACHESIGMAR1BRS3MC4R
SCHEMBL9543211 0.90 BCHE (0.49) BCHEACHE
SCHEMBL9544884 0.89 BCHE (0.47) BCHEACHE
SCHEMBL9542895 0.88 MC4R (0.45) BCHEACHEMC4RMC3R
SCHEMBL9542898 0.88 MC4R (0.45) BCHEACHEMC4RMC3R
SCHEMBL9544303 0.87 MAPK1 (0.47) BCHEACHESIGMAR1BRS3MC4R
SCHEMBL9544306 0.87 MAPK1 (0.47) BCHEACHESIGMAR1BRS3MC4R
SCHEMBL9542838 0.85 BCHE (0.45) BCHEACHESIGMAR1BRS3MC4R

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 1 patent. 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 disclosed