SCHEMBL6617633

SCHEMBL6617633

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CC(=O)N(c4ccccc4)C(=O)N3C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.47
SLC6A4 P31645 5/20 0.47
CYP2D6 P10635 1/20 0.42
HRH1 P35367 11/20 0.38
CCR3 P51677 11/20 0.38
FFAR4 Q5NUL3 1/20 0.37
KCNH2 Q12809 9/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PTGDR Q13258 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6619955 0.91 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL6614964 0.90 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6617933 0.90 HTR1A (0.47) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6417878 0.88 HTR1A (0.48) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6614532 0.88 SLC6A4 (0.43) HTR1ASLC6A4CCR3KCNH2DRD2
SCHEMBL6614951 0.87 HTR1A (0.51) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6415175 0.87 HTR1A (0.48) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6613548 0.86 SLC6A4 (0.41) HTR1ASLC6A4DRD2
SCHEMBL6615132 0.85 HTR1A (0.45) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6616160 0.84 HTR1A (0.43) HTR1ASLC6A4CYP2D6HRH1CCR3

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