SCHEMBL7972317

SCHEMBL7972317

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNA5 P22460 1/20 0.40
DRD3 P35462 4/20 0.40
HTR1A P08908 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40

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 SCHEMBL7985925 0.99 HTR2A (0.41) DRD2HTR2ASIGMAR1KDM4EALDH1A1
SCHEMBL7989648 0.97 SIGMAR1 (0.44) DRD2HTR2ASIGMAR1DRD3HTR1A
Hydrochloric Acid SCHEMBL7972066 0.97 SIGMAR1 (0.43) DRD2HTR2ASIGMAR1DRD3HTR1A
SCHEMBL7986609 0.88 DRD3 (0.44) ALDH1A1SMN1; SMN2DRD3
SCHEMBL7986288 0.88 DRD3 (0.51) DRD2HTR2ADRD3HTR1A
SCHEMBL7985583 0.88 ALDH1A1 (0.43) SIGMAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7983890 0.87 DRD3 (0.50) DRD2HTR2ADRD3HTR1A
Hydrochloric Acid SCHEMBL7981722 0.87 DRD3 (0.44) ALDH1A1SMN1; SMN2DRD3
Hydrochloric Acid SCHEMBL7983892 0.87 ALDH1A1 (0.42) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL7984706 0.85 DRD3 (0.42) KDM4EALDH1A1SMN1; SMN2DRD3

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