SCHEMBL6944976

SCHEMBL6944976

CCCC(O)N1CCN(CCCOC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 2/20 0.36
HRH2 P25021 6/20 0.33
HRH1 P35367 6/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MAPK1 P28482 2/20 0.33
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
SCN1A P35498 1/20 0.33
HTR2B P41595 1/20 0.33
SCN2A Q99250 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL21367100 0.77 GNAI3 (0.45) USP2HRH2HRH1HRH3MAPK1
SCHEMBL27269583 0.76
SCHEMBL10924619 0.76 ALDH1A1 (0.39) KDM4EHRH3MAPK1ALDH1A1SLC29A1
SCHEMBL11575418 0.76
SCHEMBL12521983 0.75 MAOB (0.44) MEN1KMT2AHRH3KCNH2
SCHEMBL19865646 0.75 CYP2D6 (0.35) MEN1KMT2AUSP2KDM4EHRH3
SCHEMBL19865645 0.73 GNAI3 (0.57) KDM4EHRH3MAPK1KCNH2ALDH1A1
SCHEMBL6806038 0.73 KDM4E (0.33) HRH1KDM4EKCNH2ALDH1A1CYP1A2
SCHEMBL1108187 0.73 MAPK1 (0.49) MEN1KMT2AKDM4EHRH3MAPK1
SCHEMBL10930283 0.72 HSD11B1 (0.42) KDM4EHRH3MAPK1ALDH1A1SLC29A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed