SCHEMBL28922005

SCHEMBL28922005

O=C1CN(Cc2ccc(OCC3CO3)cc2)C(=O)CN1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.57
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
GRM2 Q14416 4/20 0.40
DRD4 P21917 4/20 0.39
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21247047 0.78 HRH3 (0.60) HRH3ALDH1A1TP53MAPTMEN1
SCHEMBL8659857 0.73 HRH3 (0.53) HRH3ALDH1A1GAAMEN1KMT2A
SCHEMBL7252823 0.72 GSK3A (0.57) HRH3GAATSHRHPGDMEN1
SCHEMBL16085665 0.70 GSK3A (0.54) HRH3GAATSHRHPGDMEN1
SCHEMBL21094081 0.70 TDP1 (0.79) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL50264 0.70 TDP1 (0.79) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL20677146 0.70 TDP1 (0.79) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL22201878 0.69 HRH3 (0.58) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL9483467 0.69 TDP1 (0.61) HRH3ALDH1A1PKMLMNAGAA
SCHEMBL17902752 0.69 TDP1 (0.66) ALDH1A1PKMLMNAGAATDP1

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
CN-113365991-A Polymer compositions comprising biologically derived compounds 齐默尔根公司 2021-09-07 CN disclosed