SCHEMBL5505456

SCHEMBL5505456

CC1CC(C)CN(CCCN2[C]N(CCCN3CCN(C)CC3)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CSNK2A3 Q8NEV1 2/20 0.33
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
MAOB P27338 1/20 0.33
HTR7 P34969 4/20 0.32
HRH4 Q9H3N8 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL5506691 0.97 ALDH1A1 (0.32) CSNK2A2CSNK2BCSNK2A1CSNK2A3PAOX
SCHEMBL5504002 0.89 HRH3 (0.39) ALDH1A1POLBTHRBSMN1; SMN2HRH3
SCHEMBL5501796 0.88 ALDH1A1 (0.35) ALDH1A1POLBTHRBSMN1; SMN2HRH3
SCHEMBL5504838 0.87 SIGMAR1 (0.41) HRH3SIGMAR1KDM1ACHRM2CHRM1
SCHEMBL5502185 0.87 HRH3 (0.41) ALDH1A1POLBTHRBSMN1; SMN2HRH3
SCHEMBL5502428 0.86 HRH3 (0.37) ALDH1A1POLBTHRBSMN1; SMN2HRH3
SCHEMBL5507629 0.83 LMNA (0.41) ALDH1A1POLBTHRBSMN1; SMN2HRH3
SCHEMBL5505457 0.83 PAOX (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3PAOX
SCHEMBL5506694 0.81 PAOX (0.36) CSNK2A2CSNK2BCSNK2A1CSNK2A3PAOX
SCHEMBL5508184 0.81 HRH3 (0.41) HRH3MAOBHTR7CHRM2CHRM1

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed