SCHEMBL8985208

SCHEMBL8985208

Cc1ncn2c1CC(C(=O)O)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
NEK2 P51955 1/20 0.37
NOTUM Q6P988 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL29119706 0.69 KDM4E (0.48) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL30915761 0.68 KDM4E (0.46) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL30915762 0.68 KDM4E (0.39) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL9342154 0.68 KDM4E (0.46) KDM4EHSD17B10USP2HPGDNPSR1
Hydrochloric Acid SCHEMBL8985222 0.67 KDM4E (0.45) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL29119707 0.67 KDM4E (0.45) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL28608994 0.66 KDM4E (0.37) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL31132517 0.66 MMP3 (0.41) KDM4EHSD17B10USP2HPGDNPSR1
Hydrochloric Acid SCHEMBL7324922 0.65 MMP3 (0.40) KDM4EHSD17B10USP2HPGDNPSR1
Hydrochloric Acid SCHEMBL7333482 0.65 MMP3 (0.38) KDM4EHSD17B10USP2HPGDNPSR1

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