SCHEMBL5756004

SCHEMBL5756004

COc1cccc2c([C@H](O)CN3CCN(CC4CN(c5cccc(F)c5)C(=O)O4)CC3)ccnc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.42
GRM2 Q14416 1/20 0.42
MAOA P21397 5/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
FADS1 O60427 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL5758163 0.86 SLC2A1 (0.48) SIGMAR1
SCHEMBL5756002 0.86 SLC2A1 (0.48) SIGMAR1
SCHEMBL5758157 0.86 SLC2A1 (0.48) SIGMAR1
SCHEMBL5756495 0.83 SLC2A1 (0.47) SIGMAR1
SCHEMBL5756486 0.83 SLC2A1 (0.47) SIGMAR1
SCHEMBL5755501 0.79 SLC2A1 (0.48) SIGMAR1
SCHEMBL5755499 0.79 SLC2A1 (0.48) SIGMAR1
SCHEMBL5755495 0.79 SLC2A1 (0.48) SIGMAR1
SCHEMBL5758527 0.76 SLC2A1 (0.47) SIGMAR1
SCHEMBL5758524 0.76 SLC2A1 (0.47) SIGMAR1

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
EP-1343765-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-22 EP claimed