SCHEMBL8563201

SCHEMBL8563201

CN(CC(OCCOC1CCCCO1)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
SLC6A4 P31645 2/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 1/20 0.35
TACR2 P21452 3/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A2 P23975 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8557969 0.81 SLC6A2 (0.37) SLC6A3SLC6A4TACR2SLC6A2LMNA
SCHEMBL8561372 0.78 F2R (0.34) SLC6A3SLC6A4TACR2SLC6A2LMNA
SCHEMBL8971569 0.74 SLC6A3 (0.43) SLC6A3SLC6A4MEN1KMT2AOPRK1
SCHEMBL6422995 0.73 TACR2 (0.58) TACR2
SCHEMBL8706751 0.72 SLC6A3 (0.48) SLC6A3SLC6A4MEN1KMT2ASLC6A2
SCHEMBL8559300 0.71 F2R (0.52) SLC6A3SLC6A4TACR2SLC6A2LMNA
SCHEMBL4631301 0.71 MEN1 (0.36) SLC6A3SLC6A4HTR2CMEN1KMT2A
SCHEMBL4631315 0.71 MEN1 (0.36) SLC6A3SLC6A4HTR2CMEN1KMT2A
SCHEMBL7307778 0.71 TACR2 (0.59) TACR2
SCHEMBL8592272 0.71 SLC6A3 (0.46) SLC6A3SLC6A4MEN1KMT2ATACR2

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-5726313-A Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed
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