SCHEMBL4947251

SCHEMBL4947251

CC(C)N1CCOc2c(Cl)cc([N+](=O)[O-])cc2C1.CC(C)N1CCOc2c(Cl)cccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 4/20 0.34
CNR1 P21554 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HPGD P15428 1/20 0.32
HTR1A P08908 2/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL3357067 0.92 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4949018 0.86 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2991734 0.84 NOTUM (0.43) NOTUMCNR1
SCHEMBL7479469 0.73 PIK3CD (0.42) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL24826477 0.71 RIPK1 (0.32) SLC6A2SLC6A3
SCHEMBL3353090 0.71 HTR4 (0.33) KDM4EGAAMAPTSMN1; SMN2
SCHEMBL2989704 0.70 RIPK1 (0.32) GAALMNA
SCHEMBL15427979 0.69 ALDH1A1 (0.48) ALDH1A1TDP1NOTUMMEN1KMT2A
Hydrochloric Acid SCHEMBL11496417 0.67 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1951319 0.65 PNMT (0.47) ALDH1A1KDM4ETDP1MEN1KMT2A

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-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO disclosed