SCHEMBL9543598

SCHEMBL9543598

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
ACHE P22303 2/20 0.46
MC4R P32245 4/20 0.45
MC3R P41968 4/20 0.45
CCKBR P32239 4/20 0.44
NMBR P28336 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ECE1 P42892 1/20 0.42
TACR1 P25103 1/20 0.42
MC5R P33032 1/20 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
SCHEMBL9543606 1.00 BCHE (0.46) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9545034 0.95 BCHE (0.47) BCHEACHEMC4RMC3RNMBR
SCHEMBL9545030 0.95 BCHE (0.47) BCHEACHEMC4RMC3RNMBR
SCHEMBL9542895 0.92 MC4R (0.45) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9542898 0.92 MC4R (0.45) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9543432 0.87 BCHE (0.45) BCHEACHEMC4RMC3RNMBR
SCHEMBL9543437 0.87 BCHE (0.45) BCHEACHEMC4RMC3RNMBR
SCHEMBL9543217 0.87 BCHE (0.47) BCHEACHEMC4RMC3RSIGMAR1
SCHEMBL9543354 0.85 BCHE (0.51) BCHEACHECCKBR
SCHEMBL9544247 0.83 TACR1 (0.47) BCHEACHESIGMAR1TACR1

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