SCHEMBL28113997

SCHEMBL28113997

C=CCN1CCNCC1.C=CN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1A P35348 2/20 0.35
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
HTR3A P46098 1/20 0.34
CXCR4 P61073 2/20 0.33
SIGMAR1 Q99720 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
SCHEMBL169698 0.93
SCHEMBL169700 0.93
Bromide SCHEMBL27980411 0.91 POLB (0.37) MAPTADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL5301309 0.91 SMN1; SMN2 (0.37) MAPTADRA2AADRA2BADRA2CADRA1A
Methane SCHEMBL27320849 0.91 MAPT (0.37) MAPTADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL3293047 0.91 SMN1; SMN2 (0.37) MAPTADRA2AADRA2BADRA2CADRA1A
SCHEMBL8581174 0.91 CXCR4 (0.40) MAPTADRA2AADRA2BADRA2CADRA1A
Ammonia Solution, Strong SCHEMBL175417 0.91 POLB (0.37) MAPTADRA2AADRA2BADRA2CADRA1A
SCHEMBL8155578 0.91 POLB (0.37) MAPTADRA2AADRA2BADRA2CADRA1A
SCHEMBL19960603 0.91 CXCR4 (0.40) MAPTADRA2AADRA2BADRA2CADRA1A

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
CN-106170458-A Slurry biocide 艺康美国股份有限公司 2016-11-30 CN disclosed