SCHEMBL4949018

SCHEMBL4949018

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 4/20 0.32
RAB9A P51151 1/20 0.32
TLR9 Q9NR96 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 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 0.93 ALDH1A1 (0.37) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL3353090 0.87 HTR4 (0.33) KDM4EMAPTSMN1; SMN2GAA
SCHEMBL4947251 0.86 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL24826477 0.72 RIPK1 (0.32)
SCHEMBL7479469 0.72 PIK3CD (0.42) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2989704 0.71 RIPK1 (0.32) LMNAGAA
SCHEMBL15427979 0.70 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL2991734 0.67 NOTUM (0.43)
Hydrochloric Acid SCHEMBL11496417 0.65 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7485284 0.64 KDM4E (0.39) LMNAKDM4EMAPTRAB9ASMN1; SMN2

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