SCHEMBL17613607

SCHEMBL17613607

CCN(CC)CCC(=O)SCCCOCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.35
TSHR P16473 2/20 0.35
MAOA P21397 2/20 0.35
HTR3A P46098 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
BLM P54132 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SCN1A P35498 4/20 0.32
SCN2A Q99250 4/20 0.32
SCN3A Q9NY46 4/20 0.32
CYP3A4 P08684 3/20 0.32
LMNA P02545 3/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL17613749 0.92 CYP2D6 (0.36) CYP2D6TSHRMAOAHTR3AHRH3
SCHEMBL17613594 0.83 HRH4 (0.34) CHRM2CHRM3CHRM4CHRM1CYP1A2
SCHEMBL17613606 0.81 TSHR (0.37) CYP2D6TSHRMAOAHTR3AHRH3
SCHEMBL17613734 0.79 THRA (0.31)
SCHEMBL17613688 0.77 KDM4E (0.37) CYP2D6TSHRMAOAHTR3AHRH3
SCHEMBL17613772 0.77 TDP1 (0.32) TSHRTDP1ALDH1A1
SCHEMBL12022640 0.76
SCHEMBL17613692 0.75 TSHR (0.36) CYP2D6TSHRMAOAHTR3AHRH3
SCHEMBL14533260 0.74 MEN1 (0.39) CYP2D6TSHRHTR3AHRH3CHRM2
SCHEMBL10004390 0.74 MEN1 (0.52) CYP2D6TSHRMAOAHTR3AHRH3

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
EP-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP disclosed