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SCHEMBL9543476

SCHEMBL9543476

CCCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.45
▸ ACE2 Q9BYF1 3/20 0.45
▸ MC4R P32245 4/20 0.45
▸ MC3R P41968 4/20 0.45
▸ TACR1 P25103 3/20 0.44
▸ BCHE P06276 3/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ BRS3 P32247 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
SCHEMBL9543470 1.00 ACE (0.45) ACEACE2MC4RMC3RTACR1
SCHEMBL9544899 0.94 MAPK1 (0.48) MC4RMC3RTACR1BCHESIGMAR1
SCHEMBL9544904 0.94 MAPK1 (0.48) MC4RMC3RTACR1BCHESIGMAR1
SCHEMBL9542655 0.90 BCHE (0.44) ACEACE2MC4RMC3RBCHE
SCHEMBL9542661 0.90 BCHE (0.44) ACEACE2MC4RMC3RBCHE
SCHEMBL9544444 0.90 BCHE (0.43) ACEACE2MC4RMC3RBCHE
SCHEMBL9544842 0.89 BCHE (0.44) MC4RMC3RTACR1BCHE
SCHEMBL9544429 0.89 TACR1 (0.45) ACEACE2MC4RMC3RTACR1
SCHEMBL9544435 0.89 TACR1 (0.45) ACEACE2MC4RMC3RTACR1
SCHEMBL9544859 0.89 TACR1 (0.45) ACEACE2MC4RMC3RTACR1

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