SCHEMBL7983124

SCHEMBL7983124

O=C(NCC1CCN(Cc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.51
HDAC4 P56524 9/20 0.51
HDAC1 Q13547 9/20 0.51
HDAC7 Q8WUI4 9/20 0.51
HDAC2 Q92769 9/20 0.51
HDAC10 Q969S8 9/20 0.51
HDAC11 Q96DB2 9/20 0.51
HDAC8 Q9BY41 9/20 0.51
HDAC6 Q9UBN7 9/20 0.51
HDAC9 Q9UKV0 9/20 0.51
HDAC5 Q9UQL6 9/20 0.51
HTR4 Q13639 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
FAAH O00519 4/20 0.45
ACHE P22303 4/20 0.45
BCHE P06276 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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 SCHEMBL7983228 0.99 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7981833 0.91 HTR4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7986403 0.90 HTR4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7989656 0.90 MCHR1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7982426 0.90 LTA4H (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7981956 0.89 MCHR1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7971795 0.89 LTA4H (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7989635 0.89 LTA4H (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7989486 0.89 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7986037 0.89 HTT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed