SCHEMBL7083492

SCHEMBL7083492

CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.68
OPRM1 P35372 7/20 0.68
OPRK1 P41145 3/20 0.68
KCNH2 Q12809 4/20 0.52
BRAF P15056 1/20 0.47

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
Hydrochloric Acid SCHEMBL6772408 0.99 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2BRAF
SCHEMBL6769093 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4681851 0.91 OPRD1 (0.73) OPRD1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6772092 0.90 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6769933 0.88 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7081649 0.87 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6769090 0.87 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4680591 0.85 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4685133 0.85 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7083219 0.85 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242402-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-11-12 EP claimed