SCHEMBL5329102

SCHEMBL5329102

COc1ccc2[nH]c(CSc3ccccc3)c(CN3CCN(C)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 1/20 0.46
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
ACHE P22303 1/20 0.43
HTR6 P50406 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
CFTR P13569 1/20 0.41

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
SCHEMBL5333912 0.91 KDM4E (0.48) KDM4EALDH1A1HSD17B10ALOX15MTNR1A
SCHEMBL5332260 0.85 POLB (0.44) KDM4EALDH1A1HSD17B10HTR6MEN1
SCHEMBL5334148 0.85 POLB (0.44) KDM4EALDH1A1HSD17B10ALOX15HTR6
SCHEMBL5331577 0.85 MPO (0.48) KDM4EALDH1A1ACHEHTR6L3MBTL1
SCHEMBL5371635 0.85 KDM4E (0.49) KDM4EALDH1A1HSD17B10ALOX15MTNR1A
SCHEMBL5369909 0.85 KDM4E (0.49) KDM4EALDH1A1HSD17B10ALOX15MTNR1A
SCHEMBL5378982 0.85 KDM4E (0.49) KDM4EALDH1A1HSD17B10ALOX15MTNR1A
SCHEMBL5329097 0.85 DRD2 (0.52) KDM4EALDH1A1HTR6MEN1KMT2A
SCHEMBL6925863 0.77 KDM4E (0.51) KDM4EALDH1A1HSD17B10ALOX15MTNR1A
SCHEMBL5313708 0.77 HTR6 (0.67) KDM4EALDH1A1HSD17B10MTNR1AMTNR1B

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