SCHEMBL8017108

SCHEMBL8017108

CC(=O)On1ccc(C2CCNCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLAT P00750 18/20 0.38
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HTR2C P28335 1/20 0.34

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
SCHEMBL12986494 0.90 NPC1 (0.39)
SCHEMBL20292039 0.72 DDB1 (0.46) PLATGABRA1GABRB2HTR2C
SCHEMBL27934920 0.71 NPC1 (0.38) PLAT
Hydrochloric Acid SCHEMBL28112386 0.70 GABRA1 (0.45) PLATGABRA1GABRB2HTR2C
Hydrochloric Acid SCHEMBL31510718 0.70 DDB1 (0.45) PLATGABRA1GABRB2HTR2C
SCHEMBL8007356 0.70 NPC1 (0.41) PLATGABRA1GABRB2
SCHEMBL8017401 0.69 PLAT (0.41) PLAT
SCHEMBL29945922 0.68 SLC6A2 (0.48) PLAT
SCHEMBL29945848 0.68 HTR6 (0.46)
SCHEMBL28901178 0.68 PLAU (0.38)

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-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 WO disclosed