SCHEMBL7236228

SCHEMBL7236228

COc1ccc(CN2CCc3ccc(C(=O)CCC4CCN(C(C)=O)CC4)cc3CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.66
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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 SCHEMBL7234629 0.90 ACHE (0.56) ACHE
Hydrochloric Acid SCHEMBL7236933 0.89 ACHE (0.67) ACHE
SCHEMBL7228507 0.89 ACHE (0.69) ACHEHDAC1HDAC6
SCHEMBL7227586 0.89 ACHE (0.69) ACHEHDAC1HDAC6
SCHEMBL7228197 0.89 ACHE (0.64) ACHE
Hydrochloric Acid SCHEMBL7238466 0.89 ACHE (0.59) ACHE
Hydrochloric Acid SCHEMBL7228183 0.89 ACHE (0.62) ACHE
SCHEMBL7227558 0.89 ACHE (0.72) ACHE
Hydrochloric Acid SCHEMBL7233877 0.88 ACHE (0.68) ACHEHDAC1HDAC6
Hydrochloric Acid SCHEMBL7227563 0.88 ACHE (0.68) ACHEHDAC1HDAC6

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-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed