SCHEMBL4757909

SCHEMBL4757909

CN1CCN(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(N5CCc6ccccc6NC5=O)CC4)o3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.73

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
SCHEMBL4756981 0.92 CALCRL (0.79) CALCRL
SCHEMBL4758237 0.88 CALCRL (0.69) CALCRL
SCHEMBL4757774 0.88 CALCRL (0.71) CALCRL
SCHEMBL13985079 0.87 CALCRL (0.72) CALCRL
SCHEMBL4758259 0.87 CALCRL (0.69) CALCRL
SCHEMBL13985272 0.87 CALCRL (0.69) CALCRL
SCHEMBL13985184 0.87 CALCRL (0.71) CALCRL
SCHEMBL4757770 0.87 CALCRL (0.69) CALCRL
SCHEMBL4755092 0.87 CALCRL (0.71) CALCRL
SCHEMBL4755053 0.87 CALCRL (0.71) CALCRL

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO claimed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed