SCHEMBL16463597

SCHEMBL16463597

Cc1cnc(N)c2ncn([C@@H]3C=C[C@@H](O)[C@@H]3O)c12

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 18/20 0.71
AHCYL1 O43865 1/20 0.41

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
SCHEMBL1969057 1.00 AHCY (0.71) AHCYAHCYL1
SCHEMBL2022388 1.00 AHCY (0.71) AHCYAHCYL1
SCHEMBL2019778 0.83 AHCY (0.71) AHCYAHCYL1
SCHEMBL12573442 0.83 AHCY (1.00) AHCYAHCYL1
SCHEMBL12573439 0.77 AHCY (0.80) AHCYAHCYL1
SCHEMBL12281250 0.75 AHCY (1.00) AHCYAHCYL1
SCHEMBL864468 0.75 AHCY (1.00) AHCYAHCYL1
SCHEMBL630675 0.75 AHCY (1.00) AHCY
SCHEMBL12280626 0.75 AHCY (1.00) AHCY
SCHEMBL2418669 0.75 AHCY (1.00) AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US claimed