SCHEMBL5264181

SCHEMBL5264181

C1CC2NCCC2N1.O=[N+]([O-])c1ccc(N2CCC3NCCC32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.46
ADRB1 P08588 1/20 0.46
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC18A3 Q16572 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
SCN2A Q99250 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2884326 0.97 SIRT6 (0.48) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL6493247 0.75 MAPT (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL2884332 0.71 SIRT6 (0.50) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL30768858 0.67 CRBN (0.50) POLB
SCHEMBL13570120 0.66 ACHE (0.55) SIRT6MAPTALDH1A1POLBMEN1
SCHEMBL4067852 0.66 MAPT (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL5461036 0.66 SIRT6 (0.47) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL31011685 0.66 MAPT (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL8448356 0.65 HRH3 (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL2537629 0.65 POLB (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781663-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 EP disclosed
WO-2006018280-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO disclosed