SCHEMBL4859082

SCHEMBL4859082

CN(C)CC(O)CC(N)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.33
HIF1A Q16665 2/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL467039 0.77
SCHEMBL2788221 0.77 PLA2G1B (0.39) LMNAMAPT
SCHEMBL476608 0.76 DNM1 (0.40) DNM1HIF1ALMNASMN1; SMN2HTT
SCHEMBL1204653 0.76 DNM1 (0.34) DNM1HIF1ALMNASMN1; SMN2HTT
SCHEMBL13043954 0.76 DNM1 (0.34) DNM1HIF1ALMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28910390 0.75
SCHEMBL6263042 0.74 DNM1 (0.33) DNM1HIF1ALMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL10686188 0.74 HIF1A (0.43) DNM1HIF1ALMNASMN1; SMN2HTT
SCHEMBL689269 0.72
SCHEMBL14888870 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314873-B2 (Halo-benzo carbonyl)heterobi cyclic p38 linase inhibiting agents MERCK & CO., INC. (US) 2008-01-01 US disclosed
EP-1654236-A1 NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
WO-2005007631-A1 NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed