SCHEMBL3482783

SCHEMBL3482783

CC(CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
MCL1 Q07820 1/20 0.53
KCNJ1 P48048 1/20 0.52
KCNH2 Q12809 1/20 0.52
HTR1A P08908 1/20 0.52
SIRT6 Q8N6T7 1/20 0.51
ESRRG P62508 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL5744480 0.80 SIRT6 (0.60) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL1126955 0.77 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2HTTSIRT6
SCHEMBL374834 0.77 SIRT6 (0.68) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12952781 0.77 SIRT6 (0.71) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL7760522 0.75 SIRT6 (0.54) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL3455917 0.75 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL1126947 0.75 POLB (0.75) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL1989595 0.74 SIRT6 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6992319 0.74 SIRT6 (0.64) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4252494 0.74 SIRT6 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed