SCHEMBL9543619

SCHEMBL9543619

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CCc1cccc(Cl)c1)CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
PTPN1 P18031 1/20 0.36
LMNA P02545 1/20 0.35
CFTR P13569 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35
ALOX5AP P20292 1/20 0.35

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 0.93 PTPN1 (0.38) PTPN1HDAC8
SCHEMBL9544819 0.92 DRD4 (0.38) DRD2DRD4ALOX5AP
SCHEMBL9542741 0.91 CFTR (0.37) CFTRHDAC8
SCHEMBL9542649 0.89 PREP (0.39) PTPN1HDAC8
SCHEMBL9543445 0.88 DRD4 (0.41) DRD2DRD4LMNAALOX5AP
SCHEMBL9543221 0.88 DRD2 (0.35) DRD2DRD4POLB
SCHEMBL9543510 0.87 ALDH1A1 (0.43) DRD2DRD4HDAC8
SCHEMBL9544446 0.86 HDAC8 (0.36) PTPN1HDAC8
SCHEMBL9542714 0.86 PREP (0.41) PTPN1HDAC8
SCHEMBL9544953 0.84 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