SCHEMBL7989648

SCHEMBL7989648

O=C(NCCCCN1CCN(C(=O)c2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
DRD3 P35462 9/20 0.43
HTR2A P28223 8/20 0.43
HTR1A P08908 7/20 0.43
DRD2 P14416 6/20 0.43
HTR2C P28335 1/20 0.42
DRD4 P21917 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 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 SCHEMBL7972066 0.99 SIGMAR1 (0.43) SIGMAR1DRD3HTR2AHTR1ADRD2
SCHEMBL7972317 0.97 DRD2 (0.42) SIGMAR1DRD3HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL7985925 0.97 HTR2A (0.41) SIGMAR1DRD3HTR2AHTR1ADRD2
SCHEMBL7986218 0.88 DRD3 (0.48) DRD3HTR2AHTR1ADRD2DRD4
SCHEMBL7981746 0.88 DRD3 (0.55) DRD3HTR2AHTR1ADRD2HTR2C
Hydrochloric Acid SCHEMBL7983764 0.87 DRD3 (0.47) DRD3HTR2AHTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL7989888 0.87 DRD3 (0.54) DRD3HTR2AHTR1ADRD2HTR2C
SCHEMBL7986609 0.85 DRD3 (0.44) DRD3
SCHEMBL7985583 0.85 ALDH1A1 (0.43) SIGMAR1DRD4
SCHEMBL7986288 0.85 DRD3 (0.51) DRD3HTR2AHTR1ADRD2HTR2C

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 3 patents. 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
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed