SCHEMBL813719

SCHEMBL813719

CN1CN(C)C(c2ccccc2)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
KMT2A Q03164 3/20 0.43
ATM Q13315 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PRCP P42785 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL16226110 0.85 CHRNA7 (0.52) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL5746025 0.82 PRCP (0.38) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL10349654 0.78 HTR1A (0.55) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL8517882 0.77 ATM (0.48) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL8660338 0.77 ATM (0.48) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL30561555 0.77 ATM (0.48) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL27979491 0.77 ATM (0.48) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10384152 0.76 HTR1A (0.53) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL16226760 0.74 ATM (0.44) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL16226051 0.74 ATM (0.44) HTR1ACHRNA7CHRNB2CHRNB4CHRNA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067610-B2 Synthesis of terminal alkenes from internal alkenes and ethylene via olefin metathesis MATERIA, INC. 2011-11-29 US disclosed
US-20080027194-A1 Synthesis of terminal alkenes from internal alkenes and ethylene via olefin metathesis MATERIA, INC. 2008-01-31 US disclosed