SCHEMBL7982030

SCHEMBL7982030

C(=CC1=Cc2cnc3cccc(n23)S1)SCC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
SIGMAR1 Q99720 4/20 0.38
CCR3 P51677 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL7982025 1.00 GRIN2B (0.39) GRIN2BHRH3SIGMAR1CCR3DRD2
Hydrochloric Acid SCHEMBL7973069 0.99 GRIN2B (0.39) GRIN2BHRH3SIGMAR1CCR3DRD2
Hydrochloric Acid SCHEMBL7973066 0.99 GRIN2B (0.39) GRIN2BHRH3SIGMAR1CCR3DRD2
SCHEMBL7985592 0.84 HTR2A (0.39) GRIN2BHRH3SIGMAR1CCR3DRD2
SCHEMBL7985591 0.84 HTR2A (0.39) GRIN2BHRH3SIGMAR1CCR3DRD2
Hydrochloric Acid SCHEMBL7985606 0.83 HTR2A (0.38) GRIN2BHRH3SIGMAR1CCR3DRD2
Hydrochloric Acid SCHEMBL7985599 0.83 HTR2A (0.38) GRIN2BHRH3SIGMAR1CCR3DRD2
SCHEMBL7985968 0.82 HRH3 (0.38) GRIN2BHRH3SIGMAR1CCR3DRD2
SCHEMBL7985972 0.82 HRH3 (0.38) GRIN2BHRH3SIGMAR1CCR3DRD2
SCHEMBL7986511 0.82 ALDH1A1 (0.43) HTR2A

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