SCHEMBL7812759

SCHEMBL7812759

C#Cc1c(C(=O)OC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 16/20 0.50
GABRA2 P47869 14/20 0.50
GABRB2 P47870 14/20 0.50
GABRP O00591 12/20 0.50
GABRD O14764 12/20 0.50
GABRA1 P14867 12/20 0.50
GABRB1 P18505 12/20 0.50
GABRG2 P18507 12/20 0.50
GABRA5 P31644 12/20 0.50
GABRA3 P34903 12/20 0.50
GABRA4 P48169 12/20 0.50
GABRE P78334 12/20 0.50
GABRA6 Q16445 12/20 0.50
GABRG1 Q8N1C3 12/20 0.50
GABRG3 Q99928 12/20 0.50
GABRQ Q9UN88 12/20 0.50
NOTUM Q6P988 1/20 0.39
BACE1 P56817 1/20 0.38
MAPK1 P28482 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL7812832 0.87 GABRP (0.64) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7958610 0.81 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7815001 0.76 GABRB3 (0.62) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501553 0.75 GABRP (0.77) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7805643 0.75 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704854 0.74 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704834 0.74 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704114 0.73 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9703978 0.72 GABRB3 (0.55) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9196282 0.72 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD

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
CN-1159298-C Parasiticidal compound ������ҩ�����޹�˾ 2004-07-28 CN disclosed
EP-0871617-B1 PARASITICIDAL COMPOUNDS PFIZER (US) 2001-11-14 EP disclosed