SCHEMBL2015280

SCHEMBL2015280

CC(C)(C)N1CCNC[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL2053456 1.00 HTT (0.38) HTTSIGMAR1
SCHEMBL2015279 1.00 HTT (0.38) HTTSIGMAR1
SCHEMBL26061279 0.85 CA1 (0.37) HTT
SCHEMBL26061240 0.85 CA1 (0.37) HTT
SCHEMBL16992708 0.84 HTT (0.41) HTT
SCHEMBL22609566 0.84 HTT (0.41) HTT
SCHEMBL19226437 0.82
SCHEMBL20706281 0.81 HTT (0.38) HTT
SCHEMBL23385952 0.77 HTT (0.35) HTT
SCHEMBL1837073 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304183-A Five-membered and six-membered nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2023-12-29 CN disclosed
WO-2015092819-A2 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5- AMINE NEKTAR THERAPEUTICS (INDIA) PVT. LTD. (IN) 2015-06-25 WO disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed