SCHEMBL5221409

SCHEMBL5221409

Oc1cc(-c2nnn[nH]2)cc2c1N(C1CC3CCC(C1)N3Cc1ccccn1)c1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM1 P11229 1/20 0.32

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
SCHEMBL3167461 0.88 OPRM1 (0.35) OPRM1OPRK1KCNH2CHRM1
SCHEMBL5226012 0.81
SCHEMBL5505341 0.78 CYP2D6 (0.34) OPRM1OPRK1KCNH2CHRM1
SCHEMBL5114019 0.75 HRH3 (0.38)
SCHEMBL3167979 0.74 OPRM1 (0.35) OPRM1OPRK1KCNH2CHRM1
SCHEMBL13394744 0.74 OPRM1 (0.35) OPRM1OPRK1KCNH2CHRM1
SCHEMBL3183048 0.73 OPRM1 (0.38) OPRM1OPRK1KCNH2CHRM1
SCHEMBL3987443 0.72 OPRM1 (0.40) OPRM1OPRK1KCNH2CHRM1
SCHEMBL3176047 0.71 DRD2 (0.38) OPRM1OPRK1KCNH2CHRM1
SCHEMBL13394866 0.71 DRD2 (0.38) OPRM1OPRK1KCNH2CHRM1

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-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed