SCHEMBL5486121

SCHEMBL5486121

CCC(=O)C(SC)(c1ccccc1)C1CNCCO1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.51
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A4 P31645 3/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SSTR4 P31391 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
SCHEMBL5496434 0.86 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASSTR4
SCHEMBL28235297 0.79 SLC6A2 (0.61) SLC6A2OPRM1OPRD1DRD2DRD3
SCHEMBL28352389 0.74 SLC6A2 (0.73) SLC6A2SLC6A4ADRB2HTR1AHTR2A
SCHEMBL18284760 0.73 SLC6A2 (0.63) SLC6A2DRD2DRD3SLC6A4ADRB2
SCHEMBL27838039 0.72 SLC6A2 (0.44) SLC6A2SLC6A4SSTR4
SCHEMBL5486110 0.72 SLC6A2 (0.42) SLC6A2SLC6A4ADRB2HTR1AHTR2A
SCHEMBL27461070 0.71 SLC6A2 (0.60) SLC6A2DRD2DRD3SLC6A4ADRB2
SCHEMBL27614145 0.71 OPRM1 (0.49) SLC6A2OPRM1OPRD1DRD2DRD3
SCHEMBL28233543 0.70 SLC6A2 (0.56) SLC6A2SLC6A4SSTR4
SCHEMBL27692608 0.69 CES1 (0.51) SLC6A2SLC6A4SSTR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070126833-A1 Digital printing using ultraviolet inks CITIBANK, N.A., AS COLLATERAL AGENT 2007-06-07 US claimed
WO-2007067466-A2 DIGITAL PRINTING USING ULTRAVIOLET INKS GENERAL ELECTRIC COMPANY (US) 2007-06-14 WO disclosed
US-20070126833-A1 Digital printing using ultraviolet inks CITIBANK, N.A., AS COLLATERAL AGENT 2007-06-07 US disclosed