SCHEMBL6616102

SCHEMBL6616102

CC(NCCC(C)(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
EPHX2 P34913 6/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL15114260 0.75 MEN1 (0.45) MEN1KMT2ACYP2C19CYP2D6EPHX2
SCHEMBL14198229 0.75 MEN1 (0.50) MEN1KMT2ACYP2C19EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL4950318 0.74 EPHX2 (0.50) MEN1KMT2ACYP2C19EPHX2ALDH1A1
SCHEMBL3583453 0.70 MEN1 (0.46) MEN1KMT2ACYP2C19EPHX2ALDH1A1
SCHEMBL15114265 0.70 MEN1 (0.41) MEN1KMT2ACYP2C19CYP2D6EPHX2
SCHEMBL6616951 0.70 MEN1 (0.41) MEN1KMT2ACYP2C19CYP2D6EPHX2
SCHEMBL10278326 0.69 EPHX2 (0.52) MEN1KMT2ACYP2C19EPHX2ALDH1A1
SCHEMBL15114269 0.69 MEN1 (0.42) MEN1KMT2ACYP2C19CYP2D6EPHX2
SCHEMBL1420783 0.68 EPHX2 (0.46) MEN1KMT2ACYP2C19EPHX2ALDH1A1
SCHEMBL13585818 0.68 NPC1 (0.53) MEN1KMT2ACYP2C19EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP claimed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO claimed