SCHEMBL471204

SCHEMBL471204

CC1=CC2(CCNCC2)Oc2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.54
KCNH2 Q12809 15/20 0.54
OPRK1 P41145 7/20 0.54
MAPT P10636 1/20 0.41
CYP2D6 P10635 7/20 0.41
OPRM1 P35372 2/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL12261642 0.85 OPRD1 (0.56) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL10258162 0.79 OPRD1 (0.66) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL471197 0.79 OPRD1 (0.73) OPRD1KCNH2OPRK1CYP2D6OPRM1
Hydrochloric Acid SCHEMBL1236204 0.78 OPRD1 (0.64) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL21408598 0.73 MAPT (0.49) MAPT
SCHEMBL471415 0.73 OPRD1 (0.58) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL471409 0.71 OPRD1 (0.53) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL471293 0.71 OPRD1 (1.00) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL10560264 0.71 HDAC3 (0.41) OPRD1KCNH2OPRK1MAPTOPRM1
SCHEMBL3411611 0.71 HTR2C (0.69) OPRD1KCNH2OPRK1MAPTHTR2C

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