SCHEMBL5801972

SCHEMBL5801972

CCCN1CN(c2ccccc2)C2(CCN(C(=O)NC(C)C(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)CC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.51
OPRK1 P41145 20/20 0.51
OPRL1 P41146 20/20 0.51
OPRD1 P41143 18/20 0.49

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
SCHEMBL5803270 0.91 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5801129 0.89 ENPP2 (0.55) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5802736 0.89 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5778155 0.86 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5802411 0.83 ENPP2 (0.46) OPRM1OPRK1OPRL1OPRD1
SCHEMBL6475473 0.83 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5799004 0.82 ENPP2 (0.50) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5799989 0.81 ENPP2 (0.44) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5799178 0.80 ENPP2 (0.43) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5801590 0.79 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1

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
EP-1329451-B1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES (JP) 2006-08-23 EP disclosed
EP-1329451-A1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-23 EP disclosed