SCHEMBL6614573

SCHEMBL6614573

CCOc1ccc(Cl)c(CC2CCN(CC3CC(=O)N(Cc4ccccc4)C(=O)N3C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.51
HTR1A P08908 5/20 0.51
MAOB P27338 5/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
ACHE P22303 4/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL6616119 0.92 HTR1A (0.62) SLC6A4HTR1AACHEMEN1POLB
SCHEMBL6616780 0.91 HTR1A (0.50) SLC6A4HTR1AMAOBCYP2D6
SCHEMBL6614951 0.90 HTR1A (0.51) SLC6A4HTR1AMAOBCYP2D6ALDH1A1
SCHEMBL6617668 0.88 SLC6A4 (0.46) SLC6A4HTR1AALDH1A1ATMACHE
SCHEMBL6617933 0.87 HTR1A (0.47) SLC6A4HTR1AMAOBCYP2D6ALDH1A1
SCHEMBL6413456 0.86 HTR1A (0.52) SLC6A4HTR1AMAOBCYP2D6ALDH1A1
SCHEMBL6418328 0.86 SLC6A4 (0.52) SLC6A4HTR1AMAOBCYP2D6ALDH1A1
SCHEMBL6615215 0.86 SLC6A4 (0.45) SLC6A4HTR1AALDH1A1ATMMEN1
SCHEMBL6615657 0.84 HTR1A (0.49) SLC6A4HTR1AMAOBCYP2D6ALDH1A1
SCHEMBL6615659 0.83 HTR1A (0.42) SLC6A4HTR1AMAOBCYP2D6ALDH1A1

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