Sugi Predict

Sugi Predict / Compounds / SCHEMBL9542836

SCHEMBL9542836

SCHEMBL9542836

O=C(Cc1c[nH]c2ccccc12)N[C@@H](CCc1ccccc1)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.45
▸ ACHE P22303 3/20 0.45
▸ TACR1 P25103 4/20 0.44
▸ MC4R P32245 4/20 0.43
▸ MC3R P41968 4/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ BRS3 P32247 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ TACR3 P29371 1/20 0.41
▸ ACE P12821 2/20 0.40

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
SCHEMBL9542838 1.00 BCHE (0.45) BCHEACHETACR1MC4RMC3R
SCHEMBL9544303 0.93 MAPK1 (0.47) BCHEACHETACR1MC4RMC3R
SCHEMBL9544306 0.93 MAPK1 (0.47) BCHEACHETACR1MC4RMC3R
SCHEMBL9544251 0.93 TACR1 (0.47) BCHEACHETACR1SIGMAR1CYP2C19
SCHEMBL9544249 0.93 TACR1 (0.47) BCHEACHETACR1SIGMAR1CYP2C19
SCHEMBL9544247 0.93 TACR1 (0.47) BCHEACHETACR1SIGMAR1CYP2C19
SCHEMBL9542655 0.91 BCHE (0.44) BCHEACHEMC4RMC3RCYP2C19
SCHEMBL9542661 0.91 BCHE (0.44) BCHEACHEMC4RMC3RCYP2C19
SCHEMBL9544444 0.91 BCHE (0.43) BCHEACHEMC4RMC3RCYP2C19
SCHEMBL9544842 0.90 BCHE (0.44) BCHEACHETACR1MC4RMC3R

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