SCHEMBL7989656

SCHEMBL7989656

O=C(NCC1CCN(Cc2ccc3ccccc3c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
BCHE P06276 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.42
CCR3 P51677 1/20 0.41

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 SCHEMBL7981956 0.99 MCHR1 (0.43) MCHR1DRD2DRD4HDAC3HDAC4
SCHEMBL7982546 0.91 LTA4H (0.42) DRD2DRD4BCHEMAOBSIGMAR1
Hydrochloric Acid SCHEMBL7986046 0.90 LTA4H (0.41) DRD2DRD4BCHEMAOBSIGMAR1
SCHEMBL7983124 0.90 HDAC3 (0.51) DRD2DRD4HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7983228 0.89 HDAC3 (0.50) DRD2DRD4HDAC3HDAC4HDAC1
SCHEMBL7971774 0.86 MCHR1 (0.41) MCHR1DRD2DRD4HDAC3HDAC4
SCHEMBL7983867 0.86 HDAC1 (0.41) DRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL7986626 0.85 LMNA (0.38) DRD2DRD4HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7982672 0.85 MCHR1 (0.41) MCHR1DRD2DRD4HDAC3HDAC4
Hydrochloric Acid SCHEMBL7983873 0.85 HDAC1 (0.41) DRD4HDAC3HDAC4HDAC1HDAC7

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