SCHEMBL5751876

SCHEMBL5751876

COc1ccc2nccc(N(C)CC3(O)CCNCC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
KCNH2 Q12809 10/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PTPN11 Q06124 1/20 0.32
SLC2A1 P11166 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL4062339 0.78 KCNH2 (0.44) KCNH2
SCHEMBL5751526 0.77 KCNH2 (0.42) KCNH2PIK3CAMTOR
SCHEMBL1224605 0.76 SIGMAR1 (0.45) KCNH2SLC2A1PIK3CAMTOR
SCHEMBL5751874 0.75 KCNH2 (0.39) KCNH2
SCHEMBL632653 0.71 PTPN11 (0.36) KCNH2MTNR1AMTNR1BPTPN11
SCHEMBL5749909 0.70 KCNH2 (0.57) KCNH2
SCHEMBL5746863 0.69 KCNH2 (0.44) KCNH2
SCHEMBL5750585 0.67 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL5749905 0.67 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL5750027 0.67 KCNH2 (0.48) KCNH2SLC2A1

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-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed