SCHEMBL7985968

SCHEMBL7985968

O=C(/C=C/C1=Cc2cnc3cccc(n23)S1)CCC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
CHRM4 P08173 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CCR3 P51677 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
LTA4H P09960 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7985972 1.00 HRH3 (0.38) HRH3CHRM4SIGMAR1CCR3CHRNB2
Hydrochloric Acid SCHEMBL7985894 0.99 HRH3 (0.38) HRH3CHRM4SIGMAR1CCR3CHRNB2
Hydrochloric Acid SCHEMBL7985896 0.99 HRH3 (0.38) HRH3CHRM4SIGMAR1CCR3CHRNB2
SCHEMBL7986505 0.87 ALDH1A1 (0.43) ALDH1A1BLMKDM4ELMNAGAA
SCHEMBL7986511 0.87 ALDH1A1 (0.43) ALDH1A1BLMKDM4ELMNAGAA
SCHEMBL7986125 0.87 LTA4H (0.44) CHRM4CCR3CHRNB2CHRNB4CHRNA3
SCHEMBL7971710 0.87 LTA4H (0.44) CHRM4CCR3CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7989634 0.86 ALDH1A1 (0.42) ALDH1A1BLMKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL7989632 0.86 ALDH1A1 (0.42) ALDH1A1BLMKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL7984719 0.86 LTA4H (0.43) CHRM4CCR3CHRNB2CHRNB4CHRNA3

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