SCHEMBL9543221

SCHEMBL9543221

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CCc1ccccc1Cl)CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
BCL2 P10415 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL9545071 0.90 DRD2 (0.37) DRD2DRD4HTR1AHTR7OPRM1
SCHEMBL9543406 0.90 PTPN1 (0.38)
SCHEMBL9544819 0.90 DRD4 (0.38) DRD2DRD4TDP1L3MBTL1
SCHEMBL9542649 0.88 PREP (0.39)
SCHEMBL9543619 0.88 DRD2 (0.38) DRD2DRD4POLB
SCHEMBL9545266 0.87 DRD2 (0.39) DRD2DRD4CYP2C19OPRM1OPRL1
SCHEMBL9543247 0.86 POLB (0.39) POLBHTR1AHTR7
SCHEMBL9543510 0.86 ALDH1A1 (0.43) DRD2DRD4
SCHEMBL9544446 0.85 HDAC8 (0.36) OPRM1OPRL1
SCHEMBL9542741 0.85 CFTR (0.37) OPRM1

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