SCHEMBL5507598

SCHEMBL5507598

CCN(CC)C(=O)c1ccc2c(c1)Oc1c(C(=O)O)ccc(O)c1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.46
OPRM1 P35372 10/20 0.46
OPRK1 P41145 9/20 0.46

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
SCHEMBL5117986 0.88 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL5121380 0.85 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL5503244 0.84 KMT2A (0.42) OPRM1OPRK1
SCHEMBL5112789 0.83 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL14000446 0.82 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL5114230 0.80 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL5115898 0.80 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL5511905 0.78 ADRB2 (0.42) OPRM1OPRK1
SCHEMBL5504897 0.77 SLC6A12 (0.47) OPRD1OPRM1OPRK1
SCHEMBL5126312 0.77 OPRD1 (0.46) OPRD1OPRM1OPRK1

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-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed