SCHEMBL9542618

SCHEMBL9542618

C[C@@H](OCc1ccccc1)[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 6/20 0.42
OPRD1 P41143 5/20 0.42
OPRK1 P41145 5/20 0.42
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPY1R P25929 1/20 0.37
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL9542615 1.00 CCKBR (0.50) CCKBRALDH1A1POLBMAPTOPRM1
SCHEMBL9542936 0.91 CCKBR (0.60) CCKBRMAPTOPRM1OPRD1OPRK1
SCHEMBL9542932 0.91 CCKBR (0.60) CCKBRMAPTOPRM1OPRD1OPRK1
SCHEMBL9543506 0.91 CCKBR (0.50) CCKBRMAPTOPRM1OPRD1OPRK1
SCHEMBL9542687 0.91 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1PRMT5
SCHEMBL9543501 0.91 CCKBR (0.50) CCKBRMAPTOPRM1OPRD1OPRK1
SCHEMBL9542689 0.91 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1PRMT5
SCHEMBL9544146 0.90 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1NPY1R
SCHEMBL9544141 0.90 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1NPY1R
SCHEMBL9545247 0.90 CCKBR (0.51) CCKBRALDH1A1POLBMAPT

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