SCHEMBL9542898

SCHEMBL9542898

COC(=O)CN(CCCC1CCCCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.45
MC3R P41968 2/20 0.45
BCHE P06276 3/20 0.45
CCKBR P32239 5/20 0.43
ACHE P22303 2/20 0.43
NMBR P28336 1/20 0.43
ACE P12821 1/20 0.42
TACR1 P25103 1/20 0.42
CCKAR P32238 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
SCHEMBL9542895 1.00 MC4R (0.45) MC4RMC3RBCHECCKBRACHE
SCHEMBL9543437 0.95 BCHE (0.45) MC4RMC3RBCHEACHENMBR
SCHEMBL9543432 0.95 BCHE (0.45) MC4RMC3RBCHEACHENMBR
SCHEMBL9543606 0.92 BCHE (0.46) MC4RMC3RBCHECCKBRACHE
SCHEMBL9543598 0.92 BCHE (0.46) MC4RMC3RBCHECCKBRACHE
SCHEMBL9544104 0.88 BCHE (0.45) MC4RMC3RBCHEACHE
SCHEMBL9545030 0.87 BCHE (0.47) MC4RMC3RBCHEACHENMBR
SCHEMBL9545034 0.87 BCHE (0.47) MC4RMC3RBCHEACHENMBR
SCHEMBL9543211 0.85 BCHE (0.49) BCHECCKBRACHE
SCHEMBL9544884 0.84 BCHE (0.47) BCHECCKBRACHE

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