SCHEMBL6822186

SCHEMBL6822186

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIRT6 Q8N6T7 2/20 0.42
ADRB1 P08588 1/20 0.42
MAPT P10636 3/20 0.41
CRBN Q96SW2 2/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SCN2A Q99250 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL16702064 0.80 AR (0.49) RAB9ASMN1; SMN2SIRT6ADRB1MAPT
SCHEMBL9578136 0.80 RAB9A (0.47) RAB9ASMN1; SMN2ADRB1MAPTCRBN
SCHEMBL1208101 0.80 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2SIRT6ADRB1MAPT
SCHEMBL6818839 0.77 CTSG (0.42) RAB9ASIRT6ADRB1MAPTCRBN
SCHEMBL6824323 0.76 SIRT6 (0.56) SMN1; SMN2SIRT6ADRB1MAPTCRBN
SCHEMBL8103968 0.70 CRBN (0.48) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL16701737 0.69 SIRT6 (0.46) RAB9ASIRT6ADRB1MAPTCRBN
SCHEMBL11463857 0.69 AR (0.59) RAB9ASMN1; SMN2SIRT6ADRB1MAPT
SCHEMBL31011685 0.69 MAPT (0.56) RAB9ASIRT6ADRB1MAPTCRBN
SCHEMBL6821520 0.68 SIRT6 (0.45) RAB9ASMN1; SMN2SIRT6ADRB1MAPT

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