SCHEMBL5249123

SCHEMBL5249123

O=C(O)Cc1ccc(OCl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.56
GABRD O14764 2/20 0.56
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRE P78334 2/20 0.56
GABRA6 Q16445 2/20 0.56
GABRG1 Q8N1C3 2/20 0.56
GABRG3 Q99928 2/20 0.56
GABRQ Q9UN88 2/20 0.56
P4HTM Q9NXG6 2/20 0.56
NAPRT Q6XQN6 1/20 0.44
CA2 P00918 2/20 0.42
CAMK2A Q9UQM7 1/20 0.42

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
SCHEMBL2491663 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29589262 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5881889 0.81 MAPT (0.60) GABRPGABRDGABRA1GABRB1GABRG2
Hydrazine SCHEMBL4704048 0.79 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7452934 0.78 SRD5A2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11816285 0.78 EGLN1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9388074 0.77 L3MBTL1 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30154481 0.76 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL256024 0.76 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28344611 0.74 L3MBTL1 (0.55) GABRPGABRDGABRA1GABRB1GABRG2

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-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed