SCHEMBL1028595

SCHEMBL1028595

CCNNC(=O)c1ccc(N(CC(=O)O)CC(=O)N(C)N2Cc3ccccc3C2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.41
HDAC3 O15379 9/20 0.39
HDAC6 Q9UBN7 9/20 0.39
HDAC1 Q13547 7/20 0.38
HDAC8 Q9BY41 1/20 0.35
HDAC2 Q92769 3/20 0.34
NAMPT P43490 3/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
Hydrochloric Acid SCHEMBL1197884 0.99 AHCY (0.43) AHCYHDAC3HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL1026614 0.92 AHCY (0.43) AHCYHDAC3HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL1025161 0.90 AHCY (0.42) AHCYHDAC6HDAC1NAMPTHTT
Hydrochloric Acid SCHEMBL1026640 0.82 AHCY (0.42) AHCYHDAC6HDAC1NAMPTHTT
SCHEMBL1024888 0.81 AHCY (0.38) AHCYNAMPT
SCHEMBL1026106 0.81 AHCY (0.38) AHCYHDAC3HDAC1HDAC2NAMPT
SCHEMBL1023120 0.80 AHCY (0.41) AHCYSMN1; SMN2
SCHEMBL1026047 0.80 AHCY (0.51) AHCY
SCHEMBL1026661 0.80 AHCY (0.42) AHCYHTTOPRM1
SCHEMBL1027043 0.78 AHCY (0.39) AHCYNAMPTOPRM1OPRK1

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
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed