SCHEMBL9543634

SCHEMBL9543634

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
BCHE P06276 13/20 0.43
ALOX5 P09917 1/20 0.42
ACHE P22303 2/20 0.41
FKBP1A P62942 1/20 0.40
MC4R P32245 1/20 0.39
MC3R P41968 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
SCHEMBL9543637 1.00 MAPK1 (0.46) MAPK1L3MBTL1ALDH1A1LMNABCHE
SCHEMBL9542603 0.99 ALDH1A1 (0.47) MAPK1L3MBTL1ALDH1A1LMNABCHE
SCHEMBL9544413 0.93 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1LMNABCHE
SCHEMBL9542655 0.93 BCHE (0.44) BCHEACHEMC4RMC3R
SCHEMBL9544415 0.93 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1LMNABCHE
SCHEMBL9542661 0.93 BCHE (0.44) BCHEACHEMC4RMC3R
SCHEMBL9544444 0.93 BCHE (0.43) BCHEACHEMC4RMC3R
SCHEMBL9544842 0.92 BCHE (0.44) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9544303 0.92 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1LMNABCHE
SCHEMBL9544306 0.92 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1LMNABCHE

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