SCHEMBL471430

SCHEMBL471430

C=C(c1ccc(C2=CC3(CCCNCC3)Oc3ccccc32)c(O)c1)N(CC)CC

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.74
KCNH2 Q12809 19/20 0.74
CYP2D6 P10635 16/20 0.74
OPRM1 P35372 3/20 0.62
OPRK1 P41145 2/20 0.62

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
SCHEMBL471589 0.89 OPRD1 (0.93) OPRD1KCNH2CYP2D6OPRM1OPRK1
Adl-5747 Free Base SCHEMBL471356 0.85 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL16315375 0.84 OPRD1 (0.56) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471638 0.80 OPRD1 (0.89) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL467315 0.79 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471448 0.79 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471512 0.78 OPRD1 (0.73) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL12265419 0.77 OPRD1 (0.68) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471412 0.77 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL10258888 0.76 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1

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
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed