SCHEMBL8155578

SCHEMBL8155578

C=CCN1CCNCCN(CC=C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR3A P46098 1/20 0.36
CXCR4 P61073 2/20 0.35
OPRD1 P41143 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADRA1A P35348 2/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL169700 0.97
SCHEMBL169698 0.97
Bromide SCHEMBL27980411 0.95 POLB (0.37) POLBSMN1; SMN2MAPTALDH1A1HTR3A
Hydrochloric Acid SCHEMBL3293047 0.95 SMN1; SMN2 (0.37) POLBSMN1; SMN2MAPTALDH1A1HTR3A
SCHEMBL19960603 0.95 CXCR4 (0.40) POLBSMN1; SMN2MAPTALDH1A1HTR3A
SCHEMBL8581174 0.95 CXCR4 (0.40) POLBSMN1; SMN2MAPTALDH1A1HTR3A
Hydrochloric Acid SCHEMBL5301309 0.95 SMN1; SMN2 (0.37) POLBSMN1; SMN2MAPTALDH1A1HTR3A
Ammonia Solution, Strong SCHEMBL175417 0.95 POLB (0.37) POLBSMN1; SMN2MAPTALDH1A1HTR3A
Methane SCHEMBL27320849 0.95 MAPT (0.37) POLBSMN1; SMN2MAPTALDH1A1HTR3A
SCHEMBL28113997 0.91 MAPT (0.35) POLBSMN1; SMN2MAPTALDH1A1HTR3A

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-0970951-A1 A manganese oxidation catalyst, a method for its preparation and use thereof for catalytic epoxidation, catalytic cis-dihydroxylation and combined expoxidation-cis-dihydroxylation of olefins K.U. Leuven Research & Development (BE) 2000-01-12 EP disclosed