SCHEMBL471513

SCHEMBL471513

CCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccc(F)cc32)c(OCOC)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.59
KCNH2 Q12809 19/20 0.59
CYP2D6 P10635 15/20 0.59
OPRM1 P35372 3/20 0.55
OPRK1 P41145 2/20 0.55
MRGPRX2 Q96LB1 1/20 0.44

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
SCHEMBL471512 0.87 OPRD1 (0.73) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471533 0.84 OPRD1 (0.78) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL12262172 0.84 OPRD1 (0.43) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL16315260 0.83 OPRD1 (0.43) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL13676426 0.83 OPRD1 (0.78) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL12262225 0.83 OPRD1 (0.45) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL12030157 0.82 OPRD1 (0.73) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471634 0.81 OPRD1 (0.70) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL10258409 0.80 OPRD1 (0.81) OPRD1KCNH2CYP2D6OPRM1OPRK1
Hydrochloric Acid SCHEMBL2070671 0.80 OPRD1 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed