SCHEMBL8963637

SCHEMBL8963637

Cc1ccc(-c2nc(C(C(c3ccc(F)cc3)c3ccc(F)cc3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.37
GCGR P47871 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
PRMT5 O14744 2/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
P4HB P07237 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CHEK2 O96017 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL8964088 0.94 OPRD1 (0.37) PRMT5CYP2D6OPRM1OPRD1CHEK2
SCHEMBL8963516 0.89 CHEK2 (0.42) PRMT5CYP2D6OPRM1OPRD1MGAM
SCHEMBL8963580 0.89 PRMT5 (0.40) PRMT5SLC6A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL8963783 0.88 PRMT5 (0.40) PRMT5SLC6A2SLC6A4OPRD1
SCHEMBL8963737 0.87 OPRM1 (0.38) PRMT5OPRM1OPRD1GAAHTR1A
SCHEMBL8963820 0.87 HDAC6 (0.34) OPRM1OPRD1CHEK2
SCHEMBL8963675 0.84 TACR1 (0.36) MAPK14PRMT5OPRM1OPRD1CHEK2
SCHEMBL8963679 0.83 MEN1 (0.42) PRMT5SLC6A2SLC6A4OPRD1
SCHEMBL8964138 0.81 SLC6A4 (0.38) PRMT5SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8963650 0.80 CHEK2 (0.40) PRMT5SLC6A2SLC6A4SLC6A3CYP2D6

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
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed