SCHEMBL5331577

SCHEMBL5331577

CN1CCN(Cc2c(CSc3ccccc3)[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.48
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
POLB P06746 1/20 0.44
CCR3 P51677 2/20 0.43
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
TNKS O95271 1/20 0.39
CHRNA7 P36544 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR6 P50406 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MELK Q14680 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5333420 0.91 MPO (0.47) MPODRD2DRD4DRD3POLB
SCHEMBL5334148 0.87 POLB (0.44) DRD2DRD4DRD3POLBLMNA
SCHEMBL5332260 0.87 POLB (0.44) DRD2DRD4DRD3POLBCHRNA7
SCHEMBL5329097 0.87 DRD2 (0.52) MPODRD2DRD4DRD3POLB
SCHEMBL5370125 0.85 MPO (0.53) MPODRD2DRD4DRD3POLB
SCHEMBL5329102 0.85 KDM4E (0.46) DRD2DRD3POLBACHEHTR6
SCHEMBL5375330 0.84 MPO (0.52) MPODRD2DRD4DRD3POLB
SCHEMBL5370003 0.84 MPO (0.52) MPODRD2DRD4DRD3POLB
SCHEMBL5333028 0.79 MPO (0.47) MPODRD2DRD4DRD3POLB
SCHEMBL949053 0.79 POLB (0.64) MPODRD2DRD4DRD3POLB

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
WO-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO claimed