SCHEMBL8819843

SCHEMBL8819843

CCc1cccc2sc(C3CCNCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.42
HTR2C P28335 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR6 P50406 2/20 0.38
SLC6A4 P31645 2/20 0.37
DRD2 P14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NMT1 P30419 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
SCHEMBL5758768 0.85 SLC9A1 (0.38) SLC9A1SLC6A4DRD2S1PR5
SCHEMBL5760609 0.85 SLC9A1 (0.38) SLC9A1SLC6A4DRD2S1PR5
SCHEMBL5758774 0.85 SLC9A1 (0.38) SLC9A1SLC6A4DRD2S1PR5
SCHEMBL7866418 0.85 HTR6 (0.40) SLC9A1HTR2CMEN1KMT2AHTR6
Hydrochloric Acid SCHEMBL7099353 0.84 SLC9A1 (0.38) SLC9A1SLC6A4DRD2S1PR5
SCHEMBL7544053 0.83 SLC9A1 (0.39) SLC9A1MEN1KMT2ASLC6A4DRD2
SCHEMBL5758789 0.81 HTR2C (0.49) SLC9A1HTR2CMEN1KMT2ASLC6A4
SCHEMBL5758016 0.80 L3MBTL1 (0.44) HTR2CMEN1KMT2AHTR6SLC6A4
SCHEMBL5762725 0.77 HTR2C (0.51) HTR2CSLC6A4
Water SCHEMBL7867947 0.77 HTR1A (0.42) SLC9A1HTR2CMEN1KMT2ASLC6A4

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-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed