SCHEMBL7765726

SCHEMBL7765726

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 4/20 0.35
KDM4C Q9H3R0 1/20 0.34
SSTR3 P32745 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KCNA5 P22460 1/20 0.31
SCN5A Q14524 1/20 0.31
AR P10275 1/20 0.31
CREBBP Q92793 1/20 0.31
EPHA2 P29317 1/20 0.31
OPRK1 P41145 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL7958095 0.94 MEN1 (0.44) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL7768729 0.91 MEN1 (0.40) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL7765828 0.90 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL6947257 0.88 SLC6A3 (0.37) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL7749143 0.88 MEN1 (0.36) MEN1KMT2ASLC6A3KDM4CL3MBTL1
SCHEMBL7426709 0.86 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL8124689 0.86 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL4678659 0.84 MEN1 (0.40) MEN1KMT2ASLC6A3KDM4CSSTR3
SCHEMBL6952332 0.83 SLC6A3 (0.36) MEN1KMT2ASLC6A3KDM4CNPC1
SCHEMBL7956480 0.83 MEN1 (0.39) MEN1KMT2ASLC6A3KDM4CNPC1

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-1101757-A1 Heterocyclic compounds as tachykinin receptor antagonists SANOFI-SYNTHELABO (FR) 2001-05-23 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