SCHEMBL820843

SCHEMBL820843

C=CCC12CC3CC(CC=C)(C1)CC(NI)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22193933 0.82 MEN1 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL11668112 0.72 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL11667978 0.72 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL822318 0.72 GRIN1 (0.57) MEN1ALDH1A1KMT2A
SCHEMBL11668171 0.70 ALDH1A1 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL1931239 0.68 MEN1 (0.55) MEN1KMT2A
SCHEMBL22193935 0.66
SCHEMBL821936 0.65 GRIN2D (0.46) MEN1ALDH1A1KMT2A
SCHEMBL1116036 0.62 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL2480001 0.60 GRIN1 (0.65) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389351-A1 A PROCESS FOR PREPARING MEMANTINE Merz Pharma GmbH & Co. KGaA (DE) 2011-11-30 EP disclosed
US-8041802-B2 Decoupled logical and physical data storage within a database management system TERADATA US, INC. (US) 2011-10-18 US disclosed
WO-2010083996-A1 A PROCESS FOR PREPARING MEMANTINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-07-29 WO disclosed