SCHEMBL9545266

SCHEMBL9545266

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 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
SCHEMBL9543297 0.91 DRD2 (0.38) DRD2DRD4ALDH1A1
SCHEMBL9543363 0.88 DRD2 (0.41) DRD2DRD4OPRM1OPRL1
SCHEMBL9544913 0.88 ACE (0.41)
SCHEMBL9543221 0.87 DRD2 (0.35) DRD2DRD4OPRM1OPRL1CYP2C19
SCHEMBL9544284 0.87 DRD4 (0.43) DRD2DRD4
SCHEMBL9543445 0.85 DRD4 (0.41) DRD2DRD4
SCHEMBL9544776 0.85 ACE (0.40)
SCHEMBL9542664 0.84 DRD2 (0.33) DRD2DRD4OPRM1OPRL1
SCHEMBL9544820 0.84 CCKBR (0.41)
SCHEMBL9544292 0.83 ALDH1A1 (0.48) DRD2DRD4ALDH1A1

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 1 patent. 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 disclosed