SCHEMBL6244142

SCHEMBL6244142

CN1CCN(N2c3cc([N+](=O)[O-])ccc3CC2(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
LMNA P02545 5/20 0.45
ALDH1A1 P00352 9/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR7 P34969 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL6240237 0.76 ACHE (0.43) SIRT6LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3156433 0.75 SIRT6 (0.44) SIRT6LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL29089112 0.70 L3MBTL1 (0.43) SIRT6LMNAALDH1A1HTTGAA
SCHEMBL7649652 0.70 LMNA (0.44) SIRT6LMNAALDH1A1CYP3A4HTT
SCHEMBL427403 0.70 SIRT6 (0.59) SIRT6LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL17099539 0.69 HTT (0.42) ALDH1A1HTTGAASMN1; SMN2KMT2A
SCHEMBL2312739 0.69 ROCK1 (0.51) SIRT6LMNAALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL5827767 0.69 SIRT6 (0.58) SIRT6LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL9300572 0.69 ALDH1A1 (0.58) SIRT6LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL7803729 0.69 HTT (0.60) SIRT6LMNAALDH1A1CYP1A2CYP3A4

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-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed