SCHEMBL6206236

SCHEMBL6206236

COc1cnc2cccc(C(CO)N3CCC(N)CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.37
SSTR2 P30874 2/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL5255757 0.84 KCNH2 (0.44) KCNH2
SCHEMBL4495706 0.81 KCNH2 (0.47) PTPN11KCNH2PIK3CAMTORLTA4H
SCHEMBL1712297 0.76 PDCD1LG2 (0.41) PTPN11PIK3CAMTOR
SCHEMBL1712303 0.76 PDCD1LG2 (0.41) PTPN11PIK3CAMTOR
SCHEMBL3373329 0.75 PTPN11 (0.34) PTPN11KCNH2PIK3CAMTOR
SCHEMBL3372981 0.75 PTPN11 (0.34) PTPN11KCNH2PIK3CAMTOR
SCHEMBL1723362 0.75 KDM4E (0.36) KCNH2PIK3CAMTOR
SCHEMBL5266439 0.73 PTPN11 (0.42) PTPN11KCNH2
SCHEMBL6630462 0.73 KCNH2 (0.41) KCNH2
SCHEMBL592229 0.72 MTNR1B (0.35) PIK3CAMTOR

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
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed