SCHEMBL8107912

SCHEMBL8107912

CN(C)CCCN1c2ccc(N)nc2N(CCCN(C)C)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.42
HRH1 P35367 5/20 0.42
CYP1A2 P05177 4/20 0.42
HTR1A P08908 4/20 0.42
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
SLC6A4 P31645 4/20 0.42
HTR6 P50406 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
SLC22A1 O15245 3/20 0.42
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
DRD1 P21728 3/20 0.42
SLC6A2 P23975 3/20 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
SCHEMBL8103445 0.96 CYP2D6 (0.44) CYP2D6HRH1CYP1A2HTR1ADRD2
SCHEMBL8093557 0.88 CYP2D6 (0.51) CYP2D6HRH1CYP1A2HTR1ADRD2
SCHEMBL8101555 0.83 CYP2D6 (0.54) CYP2D6HRH1CYP1A2HTR1ADRD2
SCHEMBL8101312 0.80 HTR1A (0.39) CYP2D6HRH1CYP1A2HTR1ADRD2
SCHEMBL8101320 0.76 CYP2D6 (0.40) CYP2D6HRH1CYP1A2HTR1ADRD2
Prothipendyl SCHEMBL29393787 0.73 CYP2D6 (0.72) CYP2D6HRH1CYP1A2HTR1ADRD2
Prothipendyl SCHEMBL145059 0.73 CYP2D6 (0.72) CYP2D6HRH1CYP1A2HTR1ADRD2
SCHEMBL11749584 0.72 DRD2 (0.59) CYP2D6HRH1CYP1A2HTR1ADRD2
Prothipendyl SCHEMBL5705613 0.72 LMNA (0.72) CYP2D6HRH1CYP1A2HTR1ADRD2
Prothipendyl SCHEMBL1649843 0.72 CYP2D6 (0.70) CYP2D6HRH1CYP1A2HTR1ADRD2

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
US-6127369-A 5,10-dihydrodipyrido[2,3-b:2,3-e]pyrazin and 5,10-dihydrodipyrido[2,3-b:3,2-e]pyrazin compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed