SCHEMBL7286646

SCHEMBL7286646

CCCN(C)COCCCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ACHE P22303 6/20 0.33
SPHK1 Q9NYA1 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL7350423 0.89 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7351088 0.87 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2900302 0.85 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9658698 0.83 HTT (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19835254 0.83 HTT (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19835199 0.83 HTT (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5892540 0.82 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7286622 0.80 CES2 (0.31)
SCHEMBL7291695 0.77 TSHR (0.39) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19834961 0.74 LPAR3 (0.44)

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 7 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed