SCHEMBL7986218

SCHEMBL7986218

O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.48
HTR2A P28223 4/20 0.43
HTR1A P08908 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
KCNH2 Q12809 1/20 0.41
CCR3 P51677 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
NR4A1 P22736 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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 SCHEMBL7983764 0.99 DRD3 (0.47) DRD3HTR2AHTR1AHDAC6DRD2
SCHEMBL7986609 0.97 DRD3 (0.44) DRD3HDAC6LMNATP53NR4A1
Hydrochloric Acid SCHEMBL7981722 0.96 DRD3 (0.44) DRD3HDAC6LMNATP53NR4A1
SCHEMBL7984706 0.95 DRD3 (0.42) DRD3HDAC6LMNATP53NR4A1
Hydrochloric Acid SCHEMBL7982703 0.94 DRD3 (0.42) DRD3HDAC6LMNATP53NR4A1
SCHEMBL7985583 0.90 ALDH1A1 (0.43) DRD4SMN1; SMN2
Hydrochloric Acid SCHEMBL7983892 0.89 ALDH1A1 (0.42) DRD4SMN1; SMN2
SCHEMBL7981746 0.89 DRD3 (0.55) DRD3HTR2AHTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL7989888 0.89 DRD3 (0.54) DRD3HTR2AHTR1ADRD2DRD4
SCHEMBL7972040 0.88 SIGMAR1 (0.40) DRD4SMN1; SMN2

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