SCHEMBL328301

SCHEMBL328301

O=[N+]([O-])c1ccc(N2CCNCC2)c(-c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.71
HTR1A P08908 2/20 0.57
HTR6 P50406 2/20 0.57
HTR2A P28223 1/20 0.57
HTR5A P47898 1/20 0.57
ADRB1 P08588 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6573228 0.89 GAA (0.61) HTR7ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL282589 0.84 ALDH1A1 (0.62) HTR7SIRT6ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29257906 0.79 HTR7 (0.52) HTR7HTR1AADRB1SIRT6ALDH1A1
Hydrochloric Acid SCHEMBL29876869 0.79 HTR7 (0.52) HTR7HTR1AADRB1SIRT6ALDH1A1
SCHEMBL29793662 0.79 ALDH1A1 (0.65) HTR7ADRB1SIRT6ALDH1A1SMN1; SMN2
SCHEMBL20876774 0.79 GAA (0.72) HTR7HTR1AADRB1SIRT6ALDH1A1
SCHEMBL899512 0.79 ALDH1A1 (0.65) HTR7ADRB1SIRT6ALDH1A1SMN1; SMN2
SCHEMBL4002581 0.77 ADRB1 (0.58) HTR7HTR1AADRB1SIRT6ALDH1A1
SCHEMBL522009 0.77 ALDH1A1 (0.69) HTR7HTR1AADRB1SIRT6ALDH1A1
SCHEMBL899660 0.77 ADRB1 (0.58) HTR7HTR1AHTR6ADRB1SIRT6

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
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed