SCHEMBL9543445

SCHEMBL9543445

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
LMNA P02545 1/20 0.39
ALOX5AP P20292 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9542919 0.92 DRD2 (0.40) DRD4DRD2LMNATP53SMN1; SMN2
SCHEMBL9544913 0.91 ACE (0.41)
SCHEMBL9544284 0.90 DRD4 (0.43) DRD4DRD2ALOX5AP
SCHEMBL9543607 0.90 ALDH1A1 (0.39) LMNA
SCHEMBL9543619 0.88 DRD2 (0.38) DRD4DRD2LMNAALOX5AP
SCHEMBL9544776 0.86 ACE (0.40)
SCHEMBL9545266 0.85 DRD2 (0.39) DRD4DRD2
SCHEMBL9544292 0.84 ALDH1A1 (0.48) DRD4DRD2SMN1; SMN2
SCHEMBL9544100 0.83 JAK2 (0.40)
SCHEMBL9544945 0.83 ACE (0.39)

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