SCHEMBL471232

SCHEMBL471232

CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cc(C)ccc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.82
KCNH2 Q12809 19/20 0.82
CYP2D6 P10635 12/20 0.77
OPRK1 P41145 2/20 0.73
OPRM1 P35372 2/20 0.66
MRGPRX2 Q96LB1 1/20 0.65

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
SCHEMBL10258304 0.93 OPRD1 (0.87) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL10258386 0.92 OPRD1 (0.82) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL12265162 0.90 OPRD1 (0.82) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471261 0.90 OPRD1 (0.82) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471246 0.90 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471254 0.89 OPRD1 (0.81) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL10258509 0.89 OPRD1 (0.81) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471374 0.89 OPRD1 (0.77) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471643 0.89 OPRD1 (0.78) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL13499945 0.89 OPRD1 (0.79) OPRD1KCNH2CYP2D6OPRK1OPRM1

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