SCHEMBL9544989

SCHEMBL9544989

CC(C)[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
OPRM1 P35372 4/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
XIAP P98170 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR1 P32246 1/20 0.40
FPR2 P25090 1/20 0.39
THRB P10828 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
SCHEMBL9544985 1.00 MAPT (0.46) MAPTALDH1A1POLBOPRM1OPRD1
SCHEMBL9542625 0.91 MAPT (0.43) MAPTALDH1A1POLBOPRM1OPRD1
SCHEMBL9544299 0.89 CCR1 (0.46) MAPTALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9544305 0.89 CCR1 (0.46) MAPTALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9542615 0.88 CCKBR (0.50) MAPTALDH1A1POLBOPRM1OPRD1
SCHEMBL9542618 0.88 CCKBR (0.50) MAPTALDH1A1POLBOPRM1OPRD1
SCHEMBL9543544 0.83 MAPT (0.46) MAPTALDH1A1POLBOPRM1OPRD1
SCHEMBL9543552 0.83 MAPT (0.46) MAPTALDH1A1POLBOPRM1OPRD1
SCHEMBL9542607 0.82 MAPK1 (0.44) MAPTALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9542938 0.81 MEN1 (0.45) MAPTOPRM1OPRD1OPRK1MEN1

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