SCHEMBL27901461

SCHEMBL27901461

CN1C(=O)C(C)(C)C(C)(c2cc(NCC3(c4ccccc4)CC3)ccc2F)N=C1N

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 20/20 0.61

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
SCHEMBL568403 1.00 BACE2 (0.61) BACE2
SCHEMBL620195 0.83 BACE2 (0.64) BACE2
SCHEMBL568407 0.83 BACE2 (0.71) BACE2
SCHEMBL568408 0.83 BACE2 (0.71) BACE2
SCHEMBL568767 0.83 BACE2 (0.63) BACE2
SCHEMBL28802304 0.83 BACE2 (0.63) BACE2
SCHEMBL568805 0.82 BACE2 (0.65) BACE2
SCHEMBL568871 0.82 BACE2 (0.84) BACE2
SCHEMBL568872 0.82 BACE2 (0.84) BACE2
SCHEMBL568582 0.82 BACE2 (0.67) BACE2

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
CN-103068806-A 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds SIENA BIOTECH SPA 2013-04-24 CN claimed
CN-103068806-A 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds SIENA BIOTECH SPA 2013-04-24 CN disclosed