SCHEMBL6615657

SCHEMBL6615657

CCOc1ccc(Cl)c(CC2CCN(CC3CC(=O)N(Cc4ccccc4)C(=O)N3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
SLC6A4 P31645 4/20 0.49
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOB P27338 5/20 0.41
ACHE P22303 5/20 0.40
MAOA P21397 2/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 2/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL6612859 0.91 HTR1A (0.60) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6616238 0.91 HTR1A (0.49) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6613554 0.89 HTR1A (0.49) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6614493 0.87 HTR1A (0.46) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6613622 0.87 ALDH1A1 (0.45) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6409933 0.86 HTR1A (0.51) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6413344 0.86 HTR1A (0.51) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6616444 0.85 ALDH1A1 (0.44) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6614573 0.84 SLC6A4 (0.51) HTR1ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6615400 0.83 HTR1A (0.51) HTR1ASLC6A4ALDH1A1MEN1KMT2A

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-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed