SCHEMBL5802736

SCHEMBL5802736

C=CCN1CN(c2ccccc2)C2(CCN(C(=O)NC(C)C(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)CC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.49
OPRK1 P41145 16/20 0.49
OPRL1 P41146 16/20 0.49
OPRD1 P41143 13/20 0.49
ENPP2 Q13822 4/20 0.42

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 0.90 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5801972 0.89 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5801129 0.86 ENPP2 (0.55) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5781813 0.85 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL6474759 0.83 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5802411 0.82 ENPP2 (0.46) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5799004 0.81 ENPP2 (0.50) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5799989 0.80 ENPP2 (0.44) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5799178 0.79 ENPP2 (0.43) OPRM1OPRK1OPRL1OPRD1ENPP2
SCHEMBL5780332 0.77 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1ENPP2

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