SCHEMBL8857503

SCHEMBL8857503

CCCn1c(=O)n(C2CCN(C(=O)OCC)CC2)c(=O)c2cc(OC)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
XBP1 P17861 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 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
SCHEMBL8857605 0.92 HTT (0.50) HTTUSP2AKR1B10AKR1B1SMN1; SMN2
SCHEMBL8857315 0.89 PNP (0.49) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857593 0.84 HTT (0.52) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857571 0.81 PNP (0.51) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7163122 0.80 HTT (0.53) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857614 0.79 HTT (0.51) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857508 0.79 SMN1; SMN2 (0.51) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857524 0.78 HTT (0.52) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857625 0.78 SMN1; SMN2 (0.52) HTTUSP2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8857762 0.77 HTT (0.51) HTTUSP2SMN1; SMN2ALDH1A1KDM4E

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