SCHEMBL16359059

SCHEMBL16359059

CNNN(C)C(=N)c1ccc(C2=CC3(CCNCC3)Oc3cccc(OC)c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.51
KCNH2 Q12809 18/20 0.51
OPRK1 P41145 6/20 0.51
MRGPRX2 Q96LB1 1/20 0.49
CYP2D6 P10635 13/20 0.48
OPRM1 P35372 3/20 0.44

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
SCHEMBL10258789 0.78 OPRD1 (0.78) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL471573 0.77 OPRD1 (0.49) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL471699 0.73 OPRD1 (0.48) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL16315360 0.72 OPRD1 (0.50) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL471284 0.72 OPRD1 (0.50) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL471288 0.71 OPRD1 (0.72) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL467355 0.70 OPRD1 (0.72) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL16315226 0.69 OPRD1 (0.52) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL12030722 0.68 OPRD1 (0.73) OPRD1KCNH2OPRK1MRGPRX2CYP2D6
SCHEMBL16315381 0.68 OPRD1 (0.68) OPRD1KCNH2OPRK1MRGPRX2CYP2D6

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