SCHEMBL8448356

SCHEMBL8448356

C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
ACHE P22303 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 5/20 0.51
SIRT6 Q8N6T7 2/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL6719932 1.00 HRH3 (0.56) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL6712162 0.95 MAPT (0.54) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL6605777 0.85 ALDH1A1 (0.48) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL6493247 0.85 MAPT (0.56) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL12803097 0.82 ACHE (0.53) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL12803100 0.82 ACHE (0.53) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL9984463 0.82 MAPT (0.46) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL15828757 0.80 MAPT (0.49) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL6712849 0.80 MAPT (0.47) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL13292851 0.80 KMT2A (0.50) HRH3MEN1KMT2AMAPTSIRT6

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-6004823-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed