SCHEMBL9542687

SCHEMBL9542687

CC(=O)c1cccc(NC(=O)NC(C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)C(C)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.54
OPRM1 P35372 5/20 0.42
OPRD1 P41143 5/20 0.42
OPRK1 P41145 5/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 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
SCHEMBL9542689 1.00 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1RAB9A
SCHEMBL9542932 0.91 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1MEN1
SCHEMBL9542936 0.91 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1MEN1
SCHEMBL9542615 0.91 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1PRMT5
SCHEMBL9543501 0.91 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1RAB9A
SCHEMBL9543506 0.91 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1RAB9A
SCHEMBL9542618 0.91 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1PRMT5
SCHEMBL9544146 0.90 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1
SCHEMBL9544141 0.90 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1
SCHEMBL9543237 0.88 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1LMNA

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