SCHEMBL5333420

SCHEMBL5333420

Cc1ccc(SCc2[nH]c3ccc(F)cc3c2CN2CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.47
CCR3 P51677 5/20 0.44
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TNKS O95271 2/20 0.39
HPGD P15428 1/20 0.37
KIF11 P52732 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
SCHEMBL5331577 0.91 MPO (0.48) MPOCCR3POLBDRD2DRD4
SCHEMBL5332148 0.88 KMT2A (0.44) CCR3POLBPPARGNR2E3NCOR2
SCHEMBL5333912 0.86 KDM4E (0.48) POLBPPARGNR2E3NCOR2ALDH1A1
SCHEMBL5370125 0.85 MPO (0.53) MPOPOLBPPARGNR2E3NCOR2
SCHEMBL5375330 0.84 MPO (0.52) MPOPOLBPPARGNR2E3NCOR2
SCHEMBL5370003 0.84 MPO (0.52) MPOPOLBPPARGNR2E3NCOR2
SCHEMBL5335593 0.80 MPO (0.46) MPOPOLBPPARGNR2E3NCOR2
SCHEMBL946692 0.78 MPO (0.59) MPOPOLBDRD2DRD4DRD3
SCHEMBL5334148 0.78 POLB (0.44) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL5332260 0.78 POLB (0.44) POLBPPARGNR2E3NCOR2DRD2

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 disclosed