SCHEMBL6698166

SCHEMBL6698166

CC(=O)N1CCC(N(CCCOc2ccccc2CC(N)=O)CC(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CCR5 P51681 1/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
C3AR1 Q16581 4/20 0.36

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
SCHEMBL6689959 0.91 MEN1 (0.37) MEN1KMT2ALMNACYP3A4CHRM2
SCHEMBL7073248 0.89 LMNA (0.40) MEN1KMT2ALMNAL3MBTL1TACR1
SCHEMBL6510586 0.86 NR1H3 (0.48) MEN1KMT2ACCR5ALDH1A1MAPT
SCHEMBL6512055 0.82 NR1H3 (0.45) MEN1KMT2ALMNAOPRM1KCNH2
SCHEMBL6513610 0.76 NR1H3 (0.45) MEN1KMT2ACCR5LMNAALDH1A1
SCHEMBL6515545 0.75 NR1H3 (0.44) MEN1KMT2ACCR5OPRM1KCNH2
SCHEMBL6515170 0.75 NR1H3 (0.44) MEN1KMT2AOPRM1KCNH2
SCHEMBL6519456 0.74 NR1H3 (0.43) CCR5LMNACYP3A4CHRM2HTR1A
SCHEMBL6513593 0.74 NR1H3 (0.57) MEN1KMT2ACCR5ALDH1A1MAPT
SCHEMBL6564859 0.73 NR1H3 (0.42) MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004509161-A 2004-03-25 JP claimed
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP claimed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 WO claimed