SCHEMBL9544819

SCHEMBL9544819

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.38
ALOX5AP P20292 1/20 0.38
DRD2 P14416 8/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL9543406 0.95 PTPN1 (0.38)
SCHEMBL9543619 0.92 DRD2 (0.38) DRD4ALOX5APDRD2
SCHEMBL9543510 0.92 ALDH1A1 (0.43) DRD4DRD2MMP3
SCHEMBL9542649 0.91 PREP (0.39)
SCHEMBL9543221 0.90 DRD2 (0.35) DRD4DRD2TDP1L3MBTL1
SCHEMBL9542714 0.88 PREP (0.41)
SCHEMBL9542741 0.88 CFTR (0.37)
SCHEMBL9544284 0.87 DRD4 (0.43) DRD4ALOX5APDRD2
SCHEMBL9544446 0.87 HDAC8 (0.36)
SCHEMBL9545275 0.86 ACE (0.37)

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