SCHEMBL5319116

SCHEMBL5319116

Oc1ccc(C(c2ccccc2)N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
OPRM1 P35372 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNA3 P22001 1/20 0.54
OPRD1 P41143 1/20 0.54
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CHRM2 P08172 2/20 0.51
ADRA2A P08913 2/20 0.51
HTR2A P28223 2/20 0.51
HRH1 P35367 2/20 0.51
DRD3 P35462 2/20 0.51
HTR2B P41595 2/20 0.51
KCNH2 Q12809 2/20 0.51
CYP2D6 P10635 2/20 0.51
ABCB11 O95342 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51

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
SCHEMBL12489451 0.91 OPRM1 (0.59) MEN1OPRM1KMT2AKCNA3OPRD1
SCHEMBL8196250 0.84 OPRM1 (0.62) MEN1OPRM1KMT2AOPRD1MAPT
SCHEMBL10979769 0.79 MEN1 (0.85) MEN1OPRM1KMT2AOPRD1IGF1R
Belarizine SCHEMBL2108057 0.79 ATM (0.73) MEN1OPRM1KMT2AOPRD1MAPT
SCHEMBL172597 0.78 KMT2A (0.62) MEN1OPRM1KMT2AOPRD1MAPT
Hydrochloric Acid SCHEMBL7271980 0.78 MEN1 (0.83) MEN1OPRM1KMT2AOPRD1IGF1R
SCHEMBL1491229 0.78 OPRD1 (0.65) MEN1OPRM1KMT2AOPRD1MAPT
SCHEMBL7647399 0.77 KMT2A (0.57) MEN1OPRM1KMT2AOPRD1MAPT
SCHEMBL7991683 0.76 HTR1A (0.70) MEN1OPRM1KMT2AOPRD1TDP1
SCHEMBL9720751 0.76 KCNH2 (0.71) MEN1OPRM1KMT2AOPRD1MAPT

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-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP claimed