SCHEMBL7288448

SCHEMBL7288448

CCCCCC1CNC(CC(C)(C)[C]=O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
GLB1 P16278 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
SCHEMBL7288455 0.79 GLB1 (0.33) CYP1A2GLB1
SCHEMBL5366837 0.77 GLB1 (0.50) CYP1A2GLB1
SCHEMBL4684888 0.70 GLB1 (0.44) CYP1A2GLB1
SCHEMBL9820849 0.69 GLB1 (0.42) GLB1
SCHEMBL23473144 0.67 GLB1 (0.55) CYP1A2GLB1
Ammonia Solution, Strong SCHEMBL9805948 0.65 GLB1 (0.53) CYP1A2GLB1
SCHEMBL7297013 0.65 GNAO1 (0.41) CYP1A2
SCHEMBL3780786 0.64 ARG1 (0.58) CYP1A2
SCHEMBL4867875 0.64 ARG1 (0.58) CYP1A2
SCHEMBL6400664 0.64 CYP1A2 (0.39) CYP1A2GLB1

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