SCHEMBL3369491

SCHEMBL3369491

CCCN1CCC(Oc2ncc3c(n2)CCN(CC)C3=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.47
HTR1A P08908 10/20 0.47
DRD2 P14416 8/20 0.47
HRH3 Q9Y5N1 2/20 0.39
HTR7 P34969 3/20 0.36
HSP90AA1 P07900 1/20 0.35
GRM5 P41594 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL3372205 0.85 HRH3 (0.39) HTR2AHTR1ADRD2HRH3
SCHEMBL3369487 0.85 HTR1A (0.39) HTR2AHTR1ADRD2HRH3HSP90AA1
SCHEMBL3368822 0.85 HTR1A (0.39) HTR2AHTR1ADRD2HRH3HSP90AA1
SCHEMBL3367767 0.77 SMN1; SMN2 (0.44) GRM5PIK3CD
SCHEMBL3397891 0.71 PRMT5 (0.44) GRM5
SCHEMBL22336033 0.71 HTR1A (0.49) HTR2AHTR1ADRD2GRM5
SCHEMBL3369747 0.70 GRM5 (0.41) HRH3HTR7GRM5
SCHEMBL3372589 0.68 HRH3 (0.43) HRH3
SCHEMBL3399689 0.68 HRH3 (0.43) HRH3GRM5
SCHEMBL24096301 0.68 GRM5 (0.39) HTR2AHTR1ADRD2GRM5

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-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed