SCHEMBL9543238

SCHEMBL9543238

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
OPRM1 P35372 4/20 0.45
PPIA P62937 1/20 0.41
CCR3 P51677 9/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ROCK2 O75116 1/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 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
SCHEMBL9543237 1.00 CCKBR (0.50) CCKBROPRM1PPIACCR3OPRD1
SCHEMBL9542932 0.89 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542936 0.89 CCKBR (0.60) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542687 0.88 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1LMNA
SCHEMBL9543501 0.88 CCKBR (0.50) CCKBROPRM1PPIAOPRD1OPRK1
SCHEMBL9542615 0.88 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1
SCHEMBL9542689 0.88 CCKBR (0.54) CCKBROPRM1OPRD1OPRK1LMNA
SCHEMBL9542618 0.88 CCKBR (0.50) CCKBROPRM1OPRD1OPRK1
SCHEMBL9543506 0.88 CCKBR (0.50) CCKBROPRM1PPIAOPRD1OPRK1
SCHEMBL9544146 0.88 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