SCHEMBL2544511

SCHEMBL2544511

C1CCC2=NCCCN2CC1.[H+]

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.95
USP2 O75604 2/20 0.95
ACHE P22303 6/20 0.37
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3047 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
SCHEMBL6853620 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
SCHEMBL16583523 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
SCHEMBL2401189 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
SCHEMBL2734323 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
SCHEMBL17417853 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
SCHEMBL10601682 0.98 INMT (1.00) INMTUSP2ACHENOS3NOS1
Bromide SCHEMBL18093523 0.96 INMT (0.88) INMTUSP2ACHENOS3NOS1
Iodide SCHEMBL23365018 0.95 INMT (0.95) INMTUSP2ACHENOS3NOS1
Bromide SCHEMBL8469764 0.95 INMT (0.95) INMTUSP2ACHENOS3NOS1

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-8044120-B2 Ionic liquids for solubilizing polymers BASF AKTIENGESELLSCHAFT (DE) 2011-10-25 US disclosed