SCHEMBL9542465

SCHEMBL9542465

CC(O)C(NC(=O)Nc1cccc(Cl)c1)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1CC(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.43
CCR1 P32246 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
CASR P41180 1/20 0.38
HTT P42858 1/20 0.38
CCKBR P32239 4/20 0.37
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL9543775 0.88 GRIN2B (0.45) GRIN2BCCR1MAPK1LMNAKMT2A
SCHEMBL9543509 0.86 MAPK1 (0.43) CCR1MAPK1LMNAKMT2AMAPT
SCHEMBL9542455 0.84 CCKBR (0.49) GRIN2BCCR1MAPK1LMNAKMT2A
SCHEMBL9542459 0.84 CCKBR (0.49) GRIN2BCCR1MAPK1LMNAKMT2A
SCHEMBL9542848 0.79 MAPK1 (0.41) CCR1MAPK1LMNAKMT2AMAPT
SCHEMBL9542730 0.77 ACE (0.46) MAPK1LMNAKMT2AMAPTMEN1
SCHEMBL9544305 0.77 CCR1 (0.46) CCR1MAPK1LMNAKMT2AMAPT
SCHEMBL9544299 0.77 CCR1 (0.46) CCR1MAPK1LMNAKMT2AMAPT
SCHEMBL9542938 0.77 MEN1 (0.45) KMT2AMAPTMEN1CCKBR
SCHEMBL9542625 0.76 MAPT (0.43) KMT2AMAPTMEN1NPSR1KCNJ6

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