SCHEMBL8969658

SCHEMBL8969658

N#CC(CCC(=O)O)(OC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.36
SSTR3 P32745 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 6/20 0.32
NPC1 O15118 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRD1 P41143 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 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
SCHEMBL8564397 0.88 SLC6A3 (0.38) SLC6A3SSTR3MEN1KMT2AOPRK1
SCHEMBL4631283 0.84 SSTR3 (0.39) SLC6A3SSTR3MEN1KMT2AOPRK1
SCHEMBL7750432 0.82 SCN1A (0.38) SLC6A3SSTR3MEN1KMT2ATDP1
SCHEMBL7768729 0.81 MEN1 (0.40) SLC6A3SSTR3MEN1KMT2ANPC1
SCHEMBL7426709 0.80 MEN1 (0.43) SLC6A3SSTR3MEN1KMT2ANPC1
SCHEMBL7765726 0.78 MEN1 (0.41) SLC6A3SSTR3MEN1KMT2AOPRK1
SCHEMBL7765828 0.78 MEN1 (0.41) SLC6A3SSTR3MEN1KMT2ANPC1
SCHEMBL8124689 0.78 MEN1 (0.43) SLC6A3SSTR3MEN1KMT2ANPC1
SCHEMBL7958095 0.77 MEN1 (0.44) SLC6A3SSTR3MEN1KMT2ANPC1
SCHEMBL7847786 0.73 MEN1 (0.42) SLC6A3SSTR3MEN1KMT2AOPRK1

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
EP-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO disclosed