SCHEMBL7986288

SCHEMBL7986288

O=C(NCCCN1CCN(c2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.51
HTR1A P08908 5/20 0.51
HTR2A P28223 5/20 0.51
DRD2 P14416 7/20 0.49
DRD4 P21917 3/20 0.48
HTR2C P28335 2/20 0.46
LMNA P02545 1/20 0.46
GFER P55789 1/20 0.46

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 SCHEMBL7983890 0.99 DRD3 (0.50) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL7981746 0.97 DRD3 (0.55) DRD3HTR1AHTR2ADRD2DRD4
Hydrochloric Acid SCHEMBL7989888 0.96 DRD3 (0.54) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL7986609 0.89 DRD3 (0.44) DRD3LMNA
SCHEMBL7985583 0.89 ALDH1A1 (0.43) DRD4
Hydrochloric Acid SCHEMBL7981722 0.88 DRD3 (0.44) DRD3LMNA
Hydrochloric Acid SCHEMBL7983892 0.88 ALDH1A1 (0.42) DRD4
SCHEMBL7972317 0.88 DRD2 (0.42) DRD3HTR1AHTR2ADRD2
SCHEMBL7987161 0.87 SMYD2 (0.42) GFER
SCHEMBL7984706 0.87 DRD3 (0.42) DRD3LMNAGFER

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