SCHEMBL471634

SCHEMBL471634

CCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccc(OCOC)cc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.70
KCNH2 Q12809 18/20 0.70
CYP2D6 P10635 14/20 0.70
OPRK1 P41145 2/20 0.69
MRGPRX2 Q96LB1 1/20 0.55
OPRM1 P35372 1/20 0.52

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
SCHEMBL10258402 0.88 OPRD1 (0.78) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471643 0.86 OPRD1 (0.78) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471630 0.86 OPRD1 (0.93) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL466937 0.85 OPRD1 (0.71) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471524 0.84 OPRD1 (0.87) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL10266927 0.84 OPRD1 (0.71) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471606 0.83 OPRD1 (0.78) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL467315 0.83 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471448 0.83 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL12261655 0.83 OPRD1 (0.73) OPRD1KCNH2CYP2D6OPRK1MRGPRX2

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