SCHEMBL2260853

SCHEMBL2260853

CC(C)(C)OC(=O)N(CCc1cccc(F)c1N)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MBTPS1 Q14703 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
LMNA P02545 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL4732752 0.83 ALDH1A1 (0.44) ALDH1A1MBTPS1TSHRMEN1KMT2A
SCHEMBL8217404 0.79 PPARG (0.44) KMT2AL3MBTL1PPARGPPARDPPARA
SCHEMBL27623896 0.75 DPP4 (0.36) ALDH1A1GAA
SCHEMBL1798916 0.74 L3MBTL1 (0.42) L3MBTL1PPARGPPARDPPARAHTR2C
SCHEMBL4525149 0.74 GRM2 (0.40) MBTPS1L3MBTL1
SCHEMBL24577516 0.73 DPP4 (0.37)
SCHEMBL5654759 0.72 DRD2 (0.38) PPARGPPARDPPARAGPR119
Formic Acid SCHEMBL27903276 0.72 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1PPARGPPARD
SCHEMBL13668663 0.72 MC4R (0.37) ALDH1A1GAA
SCHEMBL15820250 0.71 HSD11B1 (0.43) KMT2AL3MBTL1HTR2CSLC6A4MTNR1A

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-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed