SCHEMBL9545071

SCHEMBL9545071

COc1ccccc1CCN(CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1A P08908 3/20 0.36
HTR7 P34969 3/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL9543455 0.92 POLB (0.39) DRD2DRD4HTR1AHTR7MAPT
SCHEMBL9543221 0.90 DRD2 (0.35) DRD2DRD4HTR1AHTR7OPRM1
SCHEMBL9543406 0.89 PTPN1 (0.38)
SCHEMBL9543510 0.88 ALDH1A1 (0.43) DRD2DRD4OXTRAVPR1A
SCHEMBL9543363 0.88 DRD2 (0.41) DRD2DRD4MAPTLMNAOPRM1
SCHEMBL9542649 0.87 PREP (0.39)
SCHEMBL9542741 0.87 CFTR (0.37) MAPTOXTRAVPR1AOPRM1
SCHEMBL9544819 0.86 DRD4 (0.38) DRD2DRD4
SCHEMBL9543247 0.86 POLB (0.39) HTR1AHTR7LMNA
SCHEMBL9544446 0.84 HDAC8 (0.36) OPRM1

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