SCHEMBL8857705

SCHEMBL8857705

CCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(OC)cc3c2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
USP2 O75604 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
XBP1 P17861 1/20 0.56
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
IDE P14735 1/20 0.51
HIF1A Q16665 1/20 0.51
KMT2A Q03164 2/20 0.48
HSD11B1 P28845 1/20 0.48

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
SCHEMBL7164484 0.89 SMN1; SMN2 (0.61) HTTUSP2SMN1; SMN2CHRM2CHRM4
SCHEMBL4636638 0.88 CHRM2 (0.66) HTTUSP2SMN1; SMN2CHRM2CHRM4
SCHEMBL7167048 0.84 SMN1; SMN2 (0.80) HTTUSP2SMN1; SMN2CHRM2CHRM4
SCHEMBL2989687 0.81 CHRM1 (0.65) HTTUSP2CHRM2CHRM4CHRM5
SCHEMBL2989685 0.81 CHRM1 (0.65) HTTUSP2CHRM2CHRM4CHRM5
SCHEMBL3006671 0.81 CHRM1 (0.65) HTTUSP2CHRM2CHRM4CHRM5
SCHEMBL8857377 0.80 HTT (0.59) HTTUSP2SMN1; SMN2CHRM2CHRM4
SCHEMBL8857605 0.79 HTT (0.50) HTTUSP2SMN1; SMN2CHRM2CHRM4
SCHEMBL8857593 0.78 HTT (0.52) HTTUSP2SMN1; SMN2CHRM2CHRM4
SCHEMBL4668824 0.78 CHRM1 (0.70) HTTUSP2SMN1; SMN2CHRM2CHRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658917-A ANTIINFLAMMATION AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-08-19 US disclosed
US-5648353-A INFLAMMATORY EDEMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-15 US disclosed
US-5624926-A Piperidinyl-dioxoquinazolines as adenosine reuptake inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-29 US disclosed
US-5605900-A USEFUL FOR TREATMENT OF INFLAMMATORY EDEMA, ISCHEMIA AND REPERFUSION DISORDERS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-25 US disclosed
EP-0638567-A1 ADENOSINE INCORPORATION INHIBITOR KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1995-02-15 EP disclosed