SCHEMBL9543587

SCHEMBL9543587

CC(OCc1ccccc1)C(NC(=O)Nc1cccc(Cl)c1)C(=O)N1[C@@H](C(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.53
PPIA P62937 2/20 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
FFAR2 O15552 1/20 0.41
CCR1 P32246 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
RIPK1 Q13546 1/20 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

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
SCHEMBL9543592 1.00 CCKBR (0.53) CCKBRPPIAKCNJ6KCNJ5KCNJ3
SCHEMBL9543766 0.84 CCKBR (0.51) CCKBRPPIAKCNJ6KCNJ5KCNJ3
SCHEMBL9542772 0.84 CCKBR (0.51) CCKBRPPIAKCNJ6KCNJ5KCNJ3
SCHEMBL9543596 0.83 CCR1 (0.41) KCNJ6KCNJ5KCNJ3MAPK1FFAR2
SCHEMBL9542726 0.81 CCKBR (0.51) CCKBRPPIAMAPK1POLB
SCHEMBL9542723 0.81 CCKBR (0.51) CCKBRPPIAMAPK1POLB
SCHEMBL9544080 0.79 CTSL (0.43) MEN1KMT2A
SCHEMBL9544075 0.79 CTSL (0.43) MEN1KMT2A
SCHEMBL9542455 0.78 CCKBR (0.49) CCKBRPPIAKCNJ6KCNJ5KCNJ3
SCHEMBL9542459 0.78 CCKBR (0.49) CCKBRPPIAKCNJ6KCNJ5KCNJ3

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