SCHEMBL14047530

SCHEMBL14047530

C=C(c1ccc(CN2CCN(C3=NC(C)C(C(C)=O)S3)C2=O)cc1)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.36
▸ SCD O00767 3/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PREP P48147 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL14047579 0.80 HDAC1 (0.50) HDAC1SCDRAB9A
SCHEMBL14047416 0.74 HDAC1 (0.41) HDAC1SCD
SCHEMBL14047539 0.71 SCD (0.53) HDAC1SCDHPGD
SCHEMBL14047625 0.69 SCD (0.57) HDAC1SCDRAB9AHPGD
SCHEMBL14047400 0.69 SCD (0.57) HDAC1SCDRAB9AHPGD
SCHEMBL14047595 0.67 SCD (0.56) HDAC1SCDHPGD
SCHEMBL14047603 0.67 SCD (0.57) SCDLMNA
SCHEMBL14047421 0.66 SCD (0.59) HDAC1SCDRAB9AHPGD
SCHEMBL14047409 0.66 SCD (0.47) HDAC1SCDRAB9ALMNA
SCHEMBL14047404 0.66 SCD (0.47) HDAC1SCDRAB9ALMNA

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
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO disclosed
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