SCHEMBL12475241

SCHEMBL12475241

O=[N+]([O-])c1ccc2c(ccn2CCCN2CCN(CCCO)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.52
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KCNJ1 P48048 2/20 0.43
KRAS P01116 1/20 0.43
MAPT P10636 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
POLB P06746 1/20 0.41
P2RX7 Q99572 1/20 0.41
ESRRG P62508 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL796721 0.88 HTR7 (0.52) HTR7ALDH1A1DRD2DRD4DRD3
SCHEMBL6230447 0.86 PLG (0.46) HTR7KRASMAPTPLGPLAU
SCHEMBL2263627 0.86 MAPT (0.53) HTR7KDM4EALDH1A1KCNJ1MAPT
SCHEMBL30785020 0.83 MAPT (0.51) HTR7KRASMAPTPLGPLAU
SCHEMBL29167245 0.83 MAPT (0.51) HTR7KRASMAPTPLGPLAU
SCHEMBL29167527 0.81 HTR7 (0.74) HTR7ALDH1A1
SCHEMBL2075531 0.81 HTR7 (0.67) HTR7KDM4EALDH1A1KRASMAPT
SCHEMBL7798236 0.81 HTR7 (0.56) HTR7MAPTPLGPLAUPOLB
SCHEMBL15748176 0.80 KMT2A (0.53) HTR7KDM4EALDH1A1DRD2DRD4
SCHEMBL2264523 0.80 HTR7 (0.65) HTR7KDM4EALDH1A1KRASMAPT

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-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 WO disclosed