SCHEMBL2076495

SCHEMBL2076495

CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N(C(=O)O)C(C)(C)C)cc3)c(C#N)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.75
KCNH2 Q12809 4/20 0.75
HTR2C P28335 3/20 0.42
MCHR1 Q99705 3/20 0.42
TACR2 P21452 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
SCHEMBL2075380 0.91 HDAC1 (0.68) HDAC1KCNH2HTR2CMCHR1
SCHEMBL2074841 0.88 HDAC1 (0.60) HDAC1KCNH2HTR2CMCHR1
SCHEMBL5112934 0.88 HDAC1 (0.84) HDAC1KCNH2HTR2CMCHR1
SCHEMBL2077214 0.86 HDAC1 (1.00) HDAC1KCNH2HTR2CMCHR1
SCHEMBL2074826 0.84 HDAC1 (0.53) HDAC1KCNH2
SCHEMBL12772626 0.84 HDAC1 (0.79) HDAC1KCNH2HTR2CMCHR1
SCHEMBL2076388 0.82 HDAC1 (0.52) HDAC1KCNH2
SCHEMBL2076346 0.80 HDAC1 (0.47) HDAC1KCNH2
SCHEMBL2074748 0.79 HDAC1 (0.47) HDAC1KCNH2
SCHEMBL15482014 0.78 HDAC1 (0.85) HDAC1KCNH2HTR2CMCHR1

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-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed