SCHEMBL16359083

SCHEMBL16359083

CCc1cc(C2=CC3(CCNCC3)Oc3ccccc32)cc(F)c1C(=O)N(CC)CC

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.75
KCNH2 Q12809 19/20 0.75
CYP2D6 P10635 17/20 0.75
OPRM1 P35372 3/20 0.66
OPRK1 P41145 2/20 0.61

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
SCHEMBL10258603 0.94 OPRD1 (0.80) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471585 0.85 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL467302 0.81 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL10258888 0.81 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471337 0.81 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
Hydrochloric Acid SCHEMBL2071898 0.80 OPRD1 (0.98) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471580 0.80 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471405 0.79 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL467434 0.79 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL471407 0.79 OPRD1 (1.00) 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 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