SCHEMBL471238

SCHEMBL471238

CCN(CC)C(=O)c1ccc(C2=CC3(CCNC3)Oc3cccc(OCOC)c32)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.67
KCNH2 Q12809 18/20 0.67
CYP2D6 P10635 11/20 0.67
MRGPRX2 Q96LB1 1/20 0.66
OPRK1 P41145 2/20 0.52
OPRM1 P35372 1/20 0.47

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
SCHEMBL471473 0.92 OPRD1 (0.69) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL10258789 0.86 OPRD1 (0.78) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL471640 0.85 OPRD1 (0.89) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL10258990 0.83 OPRD1 (0.71) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL10257763 0.82 OPRD1 (0.55) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL12030722 0.81 OPRD1 (0.73) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL12262194 0.80 OPRD1 (0.51) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL467369 0.80 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL10258597 0.80 OPRD1 (0.71) OPRD1KCNH2CYP2D6MRGPRX2OPRK1
SCHEMBL467495 0.80 OPRD1 (0.82) OPRD1KCNH2CYP2D6MRGPRX2OPRK1

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