SCHEMBL6824323

SCHEMBL6824323

CC1(C)CN(c2ccc([N+](=O)[O-])cc2)CC(C)(C)N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.56
ADRB1 P08588 1/20 0.56
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
CRBN Q96SW2 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7986410 0.84 SIRT6 (0.66) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL25447124 0.81 SIRT6 (0.58) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL5727087 0.81 SIRT6 (0.62) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL7039030 0.81 SIRT6 (0.57) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL25279405 0.79 POLB (0.59) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL22175056 0.78 SIRT6 (0.63) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL6822186 0.76 RAB9A (0.45) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL25200165 0.76 MAPT (0.59) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL17373705 0.76 MAPT (0.59) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL15271381 0.75 SIRT6 (0.81) SIRT6ADRB1MAPTALDH1A1POLB

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
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 WO disclosed