SCHEMBL8857571

SCHEMBL8857571

CCOC(=O)N1CCC(n2c(=O)c3cc(C)ccc3n(CC)c2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
USP2 O75604 1/20 0.48
XBP1 P17861 1/20 0.48
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL8857315 0.92 PNP (0.49) PNPHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857508 0.90 SMN1; SMN2 (0.51) PNPHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857605 0.89 HTT (0.50) HTTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL7163122 0.88 HTT (0.53) PNPHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857495 0.86 KMT2A (0.51) HTTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL8857325 0.83 SMN1; SMN2 (0.48) HTTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL8857794 0.82 HTT (0.45) HTTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL8857503 0.81 HTT (0.48) HTTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
Bromide SCHEMBL8857613 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL8857586 0.79 POLB (0.46) HTTSMN1; SMN2ALDH1A1KDM4EL3MBTL1

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