SCHEMBL9016152

SCHEMBL9016152

O=C1CCCCN1Cc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
ALDH1A1 P00352 4/20 0.54
HRH3 Q9Y5N1 1/20 0.52
MAPT P10636 2/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL7287505 0.95 L3MBTL1 (0.58) L3MBTL1CHRNB2CHRNA4ALDH1A1HRH3
Hydrochloric Acid SCHEMBL5578157 0.94 L3MBTL1 (0.56) L3MBTL1CHRNB2CHRNA4ALDH1A1HRH3
SCHEMBL9527993 0.81 L3MBTL1 (0.68) L3MBTL1HRH3ACHEMAPK1TDP1
SCHEMBL10754118 0.81 ALDH1A1 (0.53) CHRNB2CHRNA4ALDH1A1MAPTMEN1
SCHEMBL596252 0.80 L3MBTL1 (0.96) L3MBTL1HRH3ACHEMEN1GAA
SCHEMBL7269112 0.79 L3MBTL1 (1.00) L3MBTL1ALDH1A1HRH3MAPTACHE
SCHEMBL1626076 0.79 L3MBTL1 (1.00) L3MBTL1ALDH1A1HRH3MAPTACHE
SCHEMBL9212361 0.79 L3MBTL1 (1.00) L3MBTL1ALDH1A1HRH3MAPTACHE
SCHEMBL610772 0.79 L3MBTL1 (1.00) L3MBTL1ALDH1A1HRH3MAPTACHE
Hydrochloric Acid SCHEMBL27853152 0.79 L3MBTL1 (0.93) L3MBTL1HRH3ACHEMEN1GAA

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
US-5530134-A Synthesis of anabaseine, salts and derivatives thereof SYNPHAR LABORATORIES INC. (CA) 1996-06-25 US disclosed