SCHEMBL7296346

SCHEMBL7296346

CN(C)CC(O)COCCCCC[O]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
HTT P42858 2/20 0.47
LPAR5 Q9H1C0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 2/20 0.36
PLA2G2C Q5R387 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
P2RY10 O00398 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
SCHEMBL2988607 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL2994684 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL8454480 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL12802300 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL2981072 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL578059 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL3968392 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL3964904 0.85 USP2 (0.67) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL7355196 0.84 L3MBTL1 (0.33) USP2HTTLPAR5SPHK1
Bromide SCHEMBL2229414 0.84 USP2 (0.65) USP2HTTLPAR5SPHK1CYP1A2

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