SCHEMBL9542842

SCHEMBL9542842

C[C@@H](OC(=O)c1ccccc1)[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CCKBR P32239 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CFTR P13569 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL9542837 1.00 MAPK1 (0.40) MAPK1OPRM1OPRD1OPRK1CCKBR
SCHEMBL9544299 0.88 CCR1 (0.46) MAPK1OPRM1OPRD1OPRK1NPC1
SCHEMBL9544305 0.88 CCR1 (0.46) MAPK1OPRM1OPRD1OPRK1NPC1
SCHEMBL9543491 0.88 MAPK1 (0.41) MAPK1OPRM1OPRD1OPRK1CCKBR
SCHEMBL9543497 0.88 MAPK1 (0.41) MAPK1OPRM1OPRD1OPRK1CCKBR
SCHEMBL9543506 0.87 CCKBR (0.50) MAPK1OPRM1OPRD1OPRK1CCKBR
SCHEMBL9543501 0.87 CCKBR (0.50) MAPK1OPRM1OPRD1OPRK1CCKBR
SCHEMBL9542607 0.87 MAPK1 (0.44) MAPK1OPRM1OPRD1OPRK1NPC1
SCHEMBL9542781 0.86 CCKBR (0.47) MAPK1OPRM1OPRD1OPRK1CCKBR
SCHEMBL9542784 0.86 CCKBR (0.47) MAPK1OPRM1OPRD1OPRK1CCKBR

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