SCHEMBL10697050

SCHEMBL10697050

CN1CCC(Nc2nc3cccnc3n2CCOCC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH1 P35367 1/20 0.39
SSTR4 P31391 7/20 0.38
CNR1 P21554 1/20 0.38
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
FLT3 P36888 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL9535868 0.87 SLC6A9 (0.44) MAPTHRH1NOS2CHRM1
Oxalic Acid SCHEMBL9535594 0.86 MAPT (0.42) MAPTOPRM1OPRD1OPRK1NPSR1
Oxalic Acid SCHEMBL9535593 0.86 MAPT (0.42) MAPTOPRM1OPRD1OPRK1NPSR1
Hydrochloric Acid SCHEMBL10384124 0.86 SLC6A9 (0.44) MAPTHRH1NOS2CHRM1
SCHEMBL9535303 0.84 SLC6A9 (0.44) MAPTOPRM1OPRD1OPRK1NPSR1
Fumaric Acid SCHEMBL10383182 0.84 MAPT (0.40) MAPTOPRM1OPRD1OPRK1NPSR1
SCHEMBL9536525 0.84 MAPT (0.42) MAPTOPRM1OPRD1OPRK1NPSR1
SCHEMBL9538395 0.83 MAPT (0.39) MAPTOPRM1OPRD1OPRK1NPSR1
Oxalic Acid SCHEMBL9539822 0.83 HRH1 (0.47) MAPTOPRM1OPRD1OPRK1HRH1
Oxalic Acid SCHEMBL9539814 0.83 HRH1 (0.47) MAPTOPRM1OPRD1OPRK1HRH1

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-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed