SCHEMBL7986511

SCHEMBL7986511

O=C(C=CC1=Cc2cnc3cccc(n23)S1)C1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
BLM P54132 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42
HTR2A P28223 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL7986505 1.00 ALDH1A1 (0.43) ALDH1A1BLMKCNH2KDM4ELMNA
Hydrochloric Acid SCHEMBL7989634 0.99 ALDH1A1 (0.42) ALDH1A1BLMKCNH2KDM4ELMNA
Hydrochloric Acid SCHEMBL7989632 0.99 ALDH1A1 (0.42) ALDH1A1BLMKCNH2KDM4ELMNA
SCHEMBL7989409 0.88 DRD4 (0.44) ALDH1A1BLMHTR2A
SCHEMBL7989406 0.88 DRD4 (0.44) ALDH1A1BLMHTR2A
Hydrochloric Acid SCHEMBL7986140 0.87 DRD4 (0.43) ALDH1A1BLMHTR2A
Hydrochloric Acid SCHEMBL7986142 0.87 DRD4 (0.43) ALDH1A1BLMHTR2A
SCHEMBL7985972 0.87 HRH3 (0.38) ALDH1A1BLMKDM4ELMNAGAA
SCHEMBL7985968 0.87 HRH3 (0.38) ALDH1A1BLMKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL7985894 0.86 HRH3 (0.38) ALDH1A1BLMKDM4ELMNAGAA

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