SCHEMBL7986023

SCHEMBL7986023

O=C(NCC1CCN(Cc2cc(-c3ccsc3)cs2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.34
DRD4 P21917 5/20 0.34
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
CACNA1I Q9P0X4 2/20 0.34
KCNH2 Q12809 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CHEK1 O14757 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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 SCHEMBL7983416 0.99 DRD2 (0.34) DRD2DRD4HDAC3HDAC4HDAC1
SCHEMBL7982596 0.81 OPRM1 (0.40) KCNH2
SCHEMBL7985740 0.81 FNTA (0.36) DRD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7983124 0.81 HDAC3 (0.51) DRD2DRD4HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7972311 0.81 OPRM1 (0.41) KCNH2
Hydrochloric Acid SCHEMBL7986252 0.80 FNTA (0.38) DRD2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7983228 0.80 HDAC3 (0.50) DRD2DRD4HDAC3HDAC4HDAC1
SCHEMBL7989641 0.79 SHMT2 (0.42) LTA4HEPHX2CKS1BSKP1SKP2
SCHEMBL7986626 0.79 LMNA (0.38) DRD2DRD4HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7981882 0.78 SHMT2 (0.41) KCNH2LTA4HEPHX2CKS1BSKP1

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