SCHEMBL9544859

SCHEMBL9544859

CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC(=O)N1CCC[C@H]1C(=O)O)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.45
BCHE P06276 5/20 0.44
MC4R P32245 4/20 0.42
MC3R P41968 4/20 0.42
ACE P12821 3/20 0.42
ACE2 Q9BYF1 3/20 0.42
CYP2C19 P33261 1/20 0.42
ACHE P22303 1/20 0.41
NMBR P28336 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CCKBR P32239 1/20 0.39

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
SCHEMBL9544435 1.00 TACR1 (0.45) TACR1BCHEMC4RMC3RACE
SCHEMBL9544429 1.00 TACR1 (0.45) TACR1BCHEMC4RMC3RACE
SCHEMBL9544825 1.00 TACR1 (0.45) TACR1BCHEMC4RMC3RACE
SCHEMBL9544834 1.00 TACR1 (0.45) TACR1BCHEMC4RMC3RACE
SCHEMBL9544413 0.93 MAPK1 (0.47) TACR1BCHEMC4RMC3RACHE
SCHEMBL9544415 0.93 MAPK1 (0.47) TACR1BCHEMC4RMC3RACHE
SCHEMBL9542655 0.93 BCHE (0.44) BCHEMC4RMC3RACEACE2
SCHEMBL9542661 0.93 BCHE (0.44) BCHEMC4RMC3RACEACE2
SCHEMBL9544444 0.93 BCHE (0.43) BCHEMC4RMC3RACEACE2
SCHEMBL9544842 0.92 BCHE (0.44) TACR1BCHEMC4RMC3RACHE

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