SCHEMBL9543363

SCHEMBL9543363

COc1ccccc1CCN(CC(=O)O)C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
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
SCHEMBL9542696 0.92 LMNA (0.42) DRD2DRD4MAPTLMNAOPRM1
SCHEMBL9545266 0.88 DRD2 (0.39) DRD2DRD4OPRM1OPRL1
SCHEMBL9543455 0.88 POLB (0.39) DRD2DRD4MAPT
SCHEMBL9545071 0.88 DRD2 (0.37) DRD2DRD4MAPTLMNAOPRM1
SCHEMBL9544913 0.87 ACE (0.41)
SCHEMBL9544292 0.86 ALDH1A1 (0.48) DRD2DRD4MAPT
SCHEMBL9543607 0.84 ALDH1A1 (0.39) MAPTLMNA
SCHEMBL9544776 0.84 ACE (0.40)
SCHEMBL9544284 0.83 DRD4 (0.43) DRD2DRD4
SCHEMBL9544820 0.83 CCKBR (0.41) LMNA

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