SCHEMBL7765828

SCHEMBL7765828

N#CC(CCCC(=O)O)(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 4/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
SSTR3 P32745 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KCNA5 P22460 1/20 0.30
SCN5A Q14524 1/20 0.30
P2RX3 P56373 1/20 0.30
EPHA2 P29317 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL8124689 0.96 MEN1 (0.43) MEN1KMT2ASLC6A3PTGDR2KDM4C
SCHEMBL7768729 0.94 MEN1 (0.40) MEN1KMT2ASLC6A3PTGDR2KDM4C
SCHEMBL7426709 0.93 MEN1 (0.43) MEN1KMT2ASLC6A3PTGDR2KDM4C
SCHEMBL7765726 0.90 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL8485274 0.89 MEN1 (0.36) MEN1KMT2ASLC6A3ALDH1A1KDM4E
SCHEMBL7958095 0.88 MEN1 (0.44) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL7749143 0.85 MEN1 (0.36) MEN1KMT2ASLC6A3KDM4CL3MBTL1
SCHEMBL6543753 0.85 MEN1 (0.38) MEN1KMT2ASLC6A3ALDH1A1KDM4E
SCHEMBL6952332 0.85 SLC6A3 (0.36) MEN1KMT2ASLC6A3KDM4CALDH1A1
SCHEMBL8207606 0.85 MEN1 (0.39) MEN1KMT2ASLC6A3KDM4CL3MBTL1

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
EP-1101757-A1 Heterocyclic compounds as tachykinin receptor antagonists SANOFI-SYNTHELABO (FR) 2001-05-23 EP disclosed
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
EP-0723959-A1 Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them SANOFI (FR) 1996-07-31 EP disclosed