SCHEMBL7355201

SCHEMBL7355201

CN(C)CC(O)CCCOCCCCCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
TSHR P16473 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
PLA2G2C Q5R387 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
SCHEMBL9400786 0.85 PSMD14 (0.35) MEN1KMT2ATSHRL3MBTL1
SCHEMBL7351183 0.85 PSMD14 (0.35) MEN1KMT2ATSHRL3MBTL1
SCHEMBL7361239 0.85 PSMD14 (0.35) MEN1KMT2ATSHRL3MBTL1
SCHEMBL7355196 0.84 L3MBTL1 (0.33) HTTUSP2SPHK1L3MBTL1
SCHEMBL7296353 0.84 USP2 (0.55) HTTMEN1THRBKMT2AMAPT
Hydrochloric Acid SCHEMBL8977959 0.83 L3MBTL1 (0.38) MEN1KMT2ATSHRL3MBTL1
Hydrochloric Acid SCHEMBL178232 0.83 L3MBTL1 (0.38) MEN1KMT2ATSHRL3MBTL1
Fluoride SCHEMBL10576296 0.83 PSMD14 (0.34) MEN1KMT2ATSHRL3MBTL1
SCHEMBL7296246 0.80 MAPT (0.33) HTTTHRBMAPTL3MBTL1
SCHEMBL2533553 0.77 MEN1 (0.45) HTTMEN1THRBKMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed