SCHEMBL31663034

SCHEMBL31663034

NCc1ccc(N2CCN(CCO)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HRH3 Q9Y5N1 1/20 0.46
WNT3A P56704 1/20 0.45
HTR1A P08908 4/20 0.44
DRD4 P21917 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
HTR7 P34969 3/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42

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
SCHEMBL26707055 0.85 GAA (0.53) GAAHRH3WNT3AHTR1ADRD4
SCHEMBL3398170 0.82 GAA (0.55) GAAHRH3WNT3AHTR1ADRD4
SCHEMBL2826503 0.82 KDM4E (0.52) GAAHRH3HTR1ADRD4HTR2A
SCHEMBL12675278 0.81 HTR3A (0.47) HRH3HTR1ADRD4HTR2ADRD3
Hydrochloric Acid SCHEMBL5009806 0.80 HTR3A (0.46) HRH3HTR1ADRD4HTR2ADRD3
SCHEMBL10254779 0.79 AOC3 (0.54) OPRM1OPRK1AOC3
SCHEMBL12859199 0.79 DRD2 (0.59) GAAHRH3WNT3AHTR1ADRD4
SCHEMBL5257923 0.79 GAA (0.55) GAAHRH3WNT3AHTR2ADRD3
SCHEMBL10254758 0.78 AOC3 (0.55) AOC3
Hydrochloric Acid SCHEMBL5010436 0.78 AOC3 (0.52) OPRM1OPRK1AOC3

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed