SCHEMBL20618552

SCHEMBL20618552

CN1CCC(CC(NC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ UTS2R Q9UKP6 13/20 0.54
▸ F10 P00742 2/20 0.50
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ WDR91 A4D1P6 1/20 0.47

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
SCHEMBL20601472 0.89 KDM4E (0.56) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20601297 0.89 KDM4E (0.58) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20601295 0.89 KDM4E (0.58) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20618746 0.87 KDM4E (0.54) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20601301 0.86 KDM4E (0.53) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20618556 0.85 KDM4E (0.55) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20618744 0.85 KDM4E (0.55) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20601405 0.85 KDM4E (0.52) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20601224 0.85 UTS2R (0.55) KDM4EGAAUTS2RITGB3ITGA2B
SCHEMBL20601520 0.85 ALDH1A1 (0.54) KDM4EGAAUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — WO disclosed
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