SCHEMBL6969042

SCHEMBL6969042

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(C)c1I

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.54
GABRA2 P47869 14/20 0.54
GABRB2 P47870 14/20 0.54
GABRP O00591 10/20 0.54
GABRD O14764 10/20 0.54
GABRA1 P14867 10/20 0.54
GABRB1 P18505 10/20 0.54
GABRG2 P18507 10/20 0.54
GABRA5 P31644 10/20 0.54
GABRA3 P34903 10/20 0.54
GABRA4 P48169 10/20 0.54
GABRE P78334 10/20 0.54
GABRA6 Q16445 10/20 0.54
GABRG1 Q8N1C3 10/20 0.54
GABRG3 Q99928 10/20 0.54
GABRQ Q9UN88 10/20 0.54

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
SCHEMBL6975980 0.85 GABRB3 (0.70) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478433 0.78 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6967306 0.78 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9211808 0.78 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10367004 0.77 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478338 0.77 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478267 0.76 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478432 0.76 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478413 0.75 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10628680 0.75 GABRB3 (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159298-C Parasiticidal compound ������ҩ�����޹�˾ 2004-07-28 CN disclosed
CN-1106386-C Parasiticidal pyrazoles PFIZER LTD (US) 2003-04-23 CN disclosed
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP disclosed
EP-0871617-B1 PARASITICIDAL COMPOUNDS PFIZER (US) 2001-11-14 EP disclosed
US-6268509-B1 PESTICIDES PFIZER INC 2001-07-31 US disclosed
US-6255333-B1 HUMANS OR ANIMALS PFIZER INC. 2001-07-03 US disclosed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US disclosed
EP-0871617-A1 PARASITICIDAL COMPOUNDS PFIZER INC. (US) 1998-10-21 EP disclosed
CN-1192735-A Parasiticidal compounds FRIZER INC (US) 1998-09-09 CN disclosed
WO-1997007102-A1 PARASITICIDAL COMPOUNDS PFIZER INC (US) 1997-02-27 WO disclosed