SCHEMBL9542772

SCHEMBL9542772

C[C@@H](OCc1ccccc1)[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.51
GRIN2B Q13224 1/20 0.43
F11 P03951 1/20 0.42
KLKB1 P03952 1/20 0.42
CCR1 P32246 2/20 0.42
PPIA P62937 2/20 0.41
LMNA P02545 1/20 0.41
KCNJ6 P48051 2/20 0.41
KCNJ5 P48544 2/20 0.41
KCNJ3 P48549 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9543766 1.00 CCKBR (0.51) CCKBRGRIN2BF11KLKB1CCR1
SCHEMBL9542459 0.89 CCKBR (0.49) CCKBRGRIN2BF11KLKB1CCR1
SCHEMBL9542455 0.89 CCKBR (0.49) CCKBRGRIN2BF11KLKB1CCR1
SCHEMBL9542723 0.84 CCKBR (0.51) CCKBRPPIAMAPK1
SCHEMBL9542726 0.84 CCKBR (0.51) CCKBRPPIAMAPK1
SCHEMBL9543592 0.84 CCKBR (0.53) CCKBRCCR1PPIALMNAKCNJ6
SCHEMBL9543587 0.84 CCKBR (0.53) CCKBRCCR1PPIALMNAKCNJ6
SCHEMBL9543775 0.83 GRIN2B (0.45) GRIN2BF11KLKB1CCR1LMNA
SCHEMBL9544800 0.79 ELANE (0.49) MEN1KMT2A
SCHEMBL9544805 0.79 ELANE (0.49) MEN1KMT2A

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