SCHEMBL5203553

SCHEMBL5203553

NC1CCN(CC(N2CCC(N)CC2)n2c(=O)n[n+]([O-])c3ccc(Cl)cc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.35
GABRD O14764 8/20 0.35
GABRA1 P14867 8/20 0.35
GABRB1 P18505 8/20 0.35
GABRG2 P18507 8/20 0.35
GABRB3 P28472 8/20 0.35
GABRA5 P31644 8/20 0.35
GABRA3 P34903 8/20 0.35
GABRA2 P47869 8/20 0.35
GABRB2 P47870 8/20 0.35
GABRA4 P48169 8/20 0.35
GABRE P78334 8/20 0.35
GABRA6 Q16445 8/20 0.35
GABRG1 Q8N1C3 8/20 0.35
GABRG3 Q99928 8/20 0.35
GABRQ Q9UN88 8/20 0.35
DRD2 P14416 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL707012 0.79 TMEM97 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL921624 0.64 CNR2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL3806261 0.62 KCNH2 (0.40)
SCHEMBL3805514 0.61 KCNH2 (0.44)
SCHEMBL3856816 0.61 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL706131 0.61 TACR1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL706495 0.60 TMEM97 (0.41) DRD2SLC6A4
SCHEMBL20694827 0.57 GMNN (0.44) DRD2
SCHEMBL2739229 0.56 NTSR1 (0.45)
SCHEMBL2738476 0.56 NTSR1 (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed