SCHEMBL5330544

SCHEMBL5330544

CCN1CCN(Cc2c(CS(=O)(=O)c3ccc(Br)cc3)[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HSD17B10 Q99714 6/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
MPO P05164 2/20 0.36
TSHR P16473 1/20 0.35
HTR1A P08908 1/20 0.35
DDR1 Q08345 1/20 0.35

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
SCHEMBL5327792 0.92 HTR6 (0.52) HTR6DRD2DRD4DRD3HSD17B10
SCHEMBL5333018 0.88 DDR1 (0.43) HTR6HSD17B10KDM4EALDH1A1HPGD
SCHEMBL5332522 0.86 HSD17B10 (0.42) HTR6HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL5331983 0.86 HTR6 (0.52) HTR6HSD17B10KDM4EALDH1A1KMT2A
SCHEMBL5334580 0.86 ALDH1A1 (0.44) HTR6DRD2DRD4DRD3HSD17B10
SCHEMBL5337329 0.86 DRD2 (0.44) HTR6DRD2DRD4DRD3HSD17B10
SCHEMBL5335593 0.83 MPO (0.46) HTR6DRD2DRD4DRD3KDM4E
SCHEMBL5333028 0.82 MPO (0.47) HTR6DRD2DRD4DRD3MPO
SCHEMBL5331060 0.82 ALDH1A1 (0.46) HTR6HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL5332975 0.80 HTR6 (0.50) HTR6ALDH1A1KMT2ADDR1

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