SCHEMBL3987443

SCHEMBL3987443

CCc1c(C(=N)N)cc2c(c1CC)N(C1CC3CCC(C1)N3Cc1ccccn1)c1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRD1 P41143 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CHRM1 P11229 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
RAD52 P43351 1/20 0.31
KIF11 P52732 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3168323 0.76 OPRM1 (0.39) OPRM1OPRK1KCNH2OPRD1HRH3
SCHEMBL3183048 0.72 OPRM1 (0.38) OPRM1OPRK1KCNH2OPRD1HRH3
SCHEMBL5221409 0.72 OPRM1 (0.37) OPRM1OPRK1KCNH2CHRM1
SCHEMBL3176047 0.71 DRD2 (0.38) OPRM1OPRK1KCNH2CHRM1CYP2D6
SCHEMBL13394866 0.71 DRD2 (0.38) OPRM1OPRK1KCNH2CHRM1CYP2D6
SCHEMBL3987447 0.70 OPRM1 (0.46) OPRM1OPRK1KCNH2OPRD1CHRM1
SCHEMBL3167461 0.68 OPRM1 (0.35) OPRM1OPRK1KCNH2OPRD1HRH3
SCHEMBL5507817 0.64 L3MBTL1 (0.51) HRH3CYP2D6KMT2APARP1
SCHEMBL3168029 0.64 OPRM1 (0.39) OPRM1OPRK1KCNH2OPRD1CHRM1
SCHEMBL13394765 0.64 OPRM1 (0.39) OPRM1OPRK1KCNH2OPRD1CHRM1

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
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed