SCHEMBL6615313

SCHEMBL6615313

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CCN(C4CCCCC4)C(=O)N3C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.44
SLC6A4 P31645 8/20 0.44
CYP2D6 P10635 1/20 0.44
P2RX7 Q99572 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ACHE P22303 3/20 0.34
PTGDR Q13258 2/20 0.34
HTR4 Q13639 2/20 0.34
HRH1 P35367 3/20 0.34
CCR3 P51677 3/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL6418997 0.94 HTR1A (0.43) HTR1ASLC6A4CYP2D6P2RX7FFAR4
SCHEMBL6412814 0.91 HTR1A (0.52) HTR1ASLC6A4ACHEHTR4
SCHEMBL6416366 0.90 HTR1A (0.42) HTR1ASLC6A4CYP2D6P2RX7ACHE
SCHEMBL6414341 0.90 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6616160 0.89 HTR1A (0.43) HTR1ASLC6A4CYP2D6FFAR4ACHE
SCHEMBL6411727 0.87 P2RX7 (0.44) HTR1ASLC6A4P2RX7ACHEHTR4
SCHEMBL6410415 0.85 PER2 (0.39) HTR1ASLC6A4P2RX7ACHEHTR4
SCHEMBL6414775 0.84 HTR1A (0.42) HTR1ASLC6A4CYP2D6FFAR4ACHE
SCHEMBL6415277 0.84 HTR1A (0.52) HTR1ASLC6A4P2RX7CCR3
SCHEMBL6412226 0.83 HTR1A (0.49) HTR1ASLC6A4CYP2D6

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