SCHEMBL9542696

SCHEMBL9542696

COC(=O)CN(CCc1ccccc1OC)C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.36
OPRL1 P41146 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
SCHEMBL9543363 0.92 DRD2 (0.41) LMNADRD2DRD4MAPTOPRM1
SCHEMBL9543297 0.90 DRD2 (0.38) LMNADRD2DRD4
SCHEMBL9544945 0.87 ACE (0.39)
SCHEMBL9545334 0.86 ALDH1A1 (0.48) LMNADRD2DRD4MAPT
SCHEMBL9543455 0.85 POLB (0.39) DRD2DRD4MAPT
SCHEMBL9543652 0.85 ACE (0.38)
SCHEMBL9542586 0.84 LMNA (0.41) LMNAMAPT
SCHEMBL9544364 0.84 DRD4 (0.45) DRD2DRD4
SCHEMBL9544408 0.84 POLB (0.40) LMNA
SCHEMBL9545071 0.83 DRD2 (0.37) LMNADRD2DRD4MAPTOPRM1

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