SCHEMBL8985203

SCHEMBL8985203

CCOC(=O)C1CCn2ccnc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43
LGMN Q99538 1/20 0.43
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL24493549 0.85 KDM4E (0.47) KMT2APOLBMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL16340766 0.83 KDM4E (0.46) KMT2APOLBMAPTKDM4EALDH1A1
SCHEMBL16067955 0.78 POLB (0.46) CYP2C19KMT2APOLBKDM4EALDH1A1
SCHEMBL31133127 0.78 KMT2A (0.49) CYP2C19GAAKMT2APOLBMAPT
SCHEMBL30915761 0.78 KDM4E (0.46) CYP2C19KDM4EHPGDNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL16056681 0.77 POLB (0.45) CYP2C19KMT2APOLBKDM4EALDH1A1
SCHEMBL8985213 0.76 KMT2A (0.46) CYP2C19KMT2APOLBMAPTKDM4E
SCHEMBL408908 0.74 KMT2A (0.46) GAAKMT2APOLBMAPTKDM4E
SCHEMBL24493337 0.74 ALDH1A1 (0.45) KMT2APOLBMAPTKDM4EALDH1A1
SCHEMBL439468 0.72 PKM (0.48) KMT2AMAPTKDM4EALDH1A1HPGD

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-5547961-A USING TETRAHYDROIMIDAZOPYRIDINE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US disclosed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP disclosed