SCHEMBL9543506

SCHEMBL9543506

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
PPIA P62937 2/20 0.41
MAPK1 P28482 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL9543501 1.00 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1PPIA
SCHEMBL9542781 0.97 CCKBR (0.47) CCKBROPRM1OPRD1OPRK1PPIA
SCHEMBL9542784 0.97 CCKBR (0.47) CCKBROPRM1OPRD1OPRK1PPIA
SCHEMBL9542932 0.91 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1MEN1
SCHEMBL9542936 0.91 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1MEN1
SCHEMBL9542689 0.91 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1NPC1
SCHEMBL9542615 0.91 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1KCNJ6
SCHEMBL9542618 0.91 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1KCNJ6
SCHEMBL9542687 0.91 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1NPC1
SCHEMBL9544146 0.90 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1

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