SCHEMBL29923754

SCHEMBL29923754

CCc1cc(N2CCN(CCOC)CC2)c2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
HRH3 Q9Y5N1 5/20 0.46
ADRA1A P35348 4/20 0.45
HRH1 P35367 4/20 0.45
ADRA1B P35368 3/20 0.45
ELANE P08246 1/20 0.44
HTR1A P08908 6/20 0.44
SLC6A4 P31645 4/20 0.44
ACHE P22303 3/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
SLC6A2 P23975 3/20 0.41
MAP4K4 O95819 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL24916004 0.78 LRRK2 (0.39) KCNH2HRH3ADRA1AHRH1ADRA1B
SCHEMBL12932480 0.74 HTR6 (0.57) HTR1ASLC6A4DRD2HTR2ADRD4
Hydrochloric Acid SCHEMBL1063081 0.74 HTR6 (0.59) HTR1ASLC6A4DRD2HTR2ADRD4
SCHEMBL2358654 0.73 KCNH2 (0.42) KCNH2HRH3ADRA1AHRH1HTR1A
SCHEMBL1065862 0.72 CKS1B (0.51) KCNH2ACHEMAP4K4
SCHEMBL1063036 0.71 ACKR3 (0.68) KCNH2HRH1DRD2HTR2ADRD4
SCHEMBL9755216 0.71 ELANE (0.45) KCNH2ELANEACHEDRD2DRD4
SCHEMBL3924932 0.70 HTR1A (0.58) HTR1ADRD2DRD4DRD3
SCHEMBL10615678 0.69 HTR1A (0.47) KCNH2HRH3ADRA1AHRH1ADRA1B
SCHEMBL10656768 0.69 HTR7 (0.62) ADRA1AHTR1ASLC6A4DRD2HTR2A

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed