SCHEMBL9543544

SCHEMBL9543544

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
CCKBR P32239 6/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
XIAP P98170 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9543552 1.00 MAPT (0.46) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9542938 0.90 MEN1 (0.45) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9542932 0.87 CCKBR (0.60) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9542936 0.87 CCKBR (0.60) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9544003 0.83 NPC1 (0.47) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9544985 0.83 MAPT (0.46) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9544299 0.83 CCR1 (0.46) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9544305 0.83 CCR1 (0.46) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9544989 0.83 MAPT (0.46) MAPTMEN1KMT2AOPRM1OPRD1
SCHEMBL9542607 0.81 MAPK1 (0.44) MAPTMEN1KMT2AOPRM1OPRD1

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