SCHEMBL5370125

SCHEMBL5370125

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.53
TNKS O95271 2/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HTR1A P08908 1/20 0.38
FLT3 P36888 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNIK Q9UKE5 1/20 0.36
HTR6 P50406 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
SCHEMBL5375330 0.89 MPO (0.52) MPOTNKSDRD2DRD4DRD3
SCHEMBL5370003 0.89 MPO (0.52) MPOTNKSDRD2DRD4DRD3
SCHEMBL5367989 0.87 ALDH1A1 (0.46) MPOKDM4EALDH1A1POLBPPARG
SCHEMBL5371789 0.87 HSD17B10 (0.46) MPODRD2DRD4DRD3KDM4E
SCHEMBL5331577 0.85 MPO (0.48) MPOTNKSDRD2DRD4DRD3
SCHEMBL5378982 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDHTR1AHRH4
SCHEMBL5333420 0.85 MPO (0.47) MPOTNKSDRD2DRD4DRD3
SCHEMBL946692 0.81 MPO (0.59) MPOTNKSDRD2DRD4DRD3
SCHEMBL5333028 0.77 MPO (0.47) MPOTNKSDRD2DRD4DRD3
SCHEMBL5335593 0.76 MPO (0.46) MPOTNKSDRD2DRD4DRD3

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