SCHEMBL7972045

SCHEMBL7972045

O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.54
SLC6A2 P23975 9/20 0.54
SLC6A4 P31645 8/20 0.54
SLC6A3 Q01959 1/20 0.51
TMEM97 Q5BJF2 4/20 0.50

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 SCHEMBL7986498 0.99 CCR3 (0.53) CCR3SLC6A2SLC6A4SLC6A3TMEM97
SCHEMBL7985614 0.97 CCR3 (0.58) CCR3SLC6A2SLC6A4SLC6A3TMEM97
Hydrochloric Acid SCHEMBL7981966 0.97 CCR3 (0.57) CCR3SLC6A2SLC6A4SLC6A3TMEM97
SCHEMBL7983920 0.89 CHRM4 (0.48) CCR3SLC6A2SLC6A4TMEM97
Hydrochloric Acid SCHEMBL7981637 0.89 CHRM4 (0.47) CCR3SLC6A2SLC6A4TMEM97
SCHEMBL7989522 0.88 CHRM4 (0.53) CCR3
SCHEMBL7990681 0.88 CHRM4 (0.43) CCR3SLC6A2SLC6A4TMEM97
SCHEMBL7982970 0.88 ADRA1D (0.45) SLC6A2SLC6A4
SCHEMBL7985583 0.88 ALDH1A1 (0.43)
SCHEMBL7986609 0.88 DRD3 (0.44)

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