SCHEMBL9543787

SCHEMBL9543787

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CC(=O)c1ccccc1)CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
CXCR3 P49682 2/20 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
SCHEMBL9544446 0.89 HDAC8 (0.36) OPRM1OPRL1
SCHEMBL9543406 0.88 PTPN1 (0.38) CXCR3
SCHEMBL9542649 0.87 PREP (0.39) CXCR3
SCHEMBL9543998 0.86 OPRM1 (0.41) OPRM1OPRL1
SCHEMBL9543221 0.84 DRD2 (0.35) OPRM1OPRL1
SCHEMBL9544819 0.84 DRD4 (0.38)
SCHEMBL9545071 0.84 DRD2 (0.37) OPRM1
SCHEMBL9543510 0.84 ALDH1A1 (0.43)
SCHEMBL9543619 0.83 DRD2 (0.38)
SCHEMBL9542741 0.83 CFTR (0.37) 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