SCHEMBL9542932

SCHEMBL9542932

Cc1cccc(NC(=O)NC(C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)C(C)OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.60
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9542936 1.00 CCKBR (0.60) CCKBRMEN1MAPTKMT2AOPRM1
SCHEMBL9542615 0.91 CCKBR (0.50) CCKBRMEN1MAPTKMT2AOPRM1
SCHEMBL9542687 0.91 CCKBR (0.54) CCKBRMEN1KMT2AOPRM1OPRD1
SCHEMBL9543501 0.91 CCKBR (0.50) CCKBRMEN1MAPTKMT2AOPRM1
SCHEMBL9542689 0.91 CCKBR (0.54) CCKBRMEN1KMT2AOPRM1OPRD1
SCHEMBL9542618 0.91 CCKBR (0.50) CCKBRMEN1MAPTKMT2AOPRM1
SCHEMBL9543506 0.91 CCKBR (0.50) CCKBRMEN1MAPTKMT2AOPRM1
SCHEMBL9544146 0.91 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1
SCHEMBL9544141 0.91 CCKBR (0.49) CCKBROPRM1OPRD1OPRK1
SCHEMBL9543238 0.89 CCKBR (0.50) 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