SCHEMBL2787030

SCHEMBL2787030

O=CCCN1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.74
SIRT6 Q8N6T7 1/20 0.59
MAPT P10636 11/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL2484839 0.88 HTR6 (0.77) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL2483723 0.86 HTR6 (1.00) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL1848333 0.82 HTR6 (0.71) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL2482386 0.81 HTR6 (1.00) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL1844113 0.79 HTR6 (0.73) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL2787028 0.78 HTR6 (0.74) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL2485886 0.78 SIRT6 (0.77) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL12259171 0.76 DCTPP1 (0.78) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL20241847 0.76 HTR6 (0.74) HTR6SIRT6MAPTCYP1A2CYP3A4
SCHEMBL2484016 0.76 SIRT6 (0.77) HTR6SIRT6MAPTCYP1A2CYP3A4

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-2010118347-A2 O-LINKED GLYCAN BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed