SCHEMBL9543509

SCHEMBL9543509

CC(O)C(NC(=O)Nc1cccc(Cl)c1)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 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
SCHEMBL9542848 0.93 MAPK1 (0.41) MAPK1OPRM1OPRD1OPRK1PRMT5
SCHEMBL9544305 0.91 CCR1 (0.46) MAPK1OPRM1OPRD1OPRK1PRMT5
SCHEMBL9544299 0.91 CCR1 (0.46) MAPK1OPRM1OPRD1OPRK1PRMT5
SCHEMBL9542938 0.91 MEN1 (0.45) OPRM1OPRD1OPRK1MEN1MAPT
SCHEMBL9542692 0.90 PRMT5 (0.43) OPRM1OPRD1OPRK1PRMT5WDR77
SCHEMBL9542625 0.90 MAPT (0.43) OPRM1OPRD1OPRK1PRMT5WDR77
SCHEMBL9542607 0.90 MAPK1 (0.44) MAPK1OPRM1OPRD1OPRK1PRMT5
SCHEMBL9544153 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1PRMT5WDR77
SCHEMBL9542730 0.88 ACE (0.46) MAPK1PRMT5WDR77NPC1RAB9A
SCHEMBL9543242 0.88 OPRM1 (0.43) OPRM1OPRD1OPRK1MEN1MAPT

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