SCHEMBL6976717

SCHEMBL6976717

Cc1cc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.51
GABRA2 P47869 12/20 0.51
GABRB2 P47870 12/20 0.51
GABRP O00591 8/20 0.51
GABRD O14764 8/20 0.51
GABRA1 P14867 8/20 0.51
GABRB1 P18505 8/20 0.51
GABRG2 P18507 8/20 0.51
GABRA5 P31644 8/20 0.51
GABRA3 P34903 8/20 0.51
GABRA4 P48169 8/20 0.51
GABRE P78334 8/20 0.51
GABRA6 Q16445 8/20 0.51
GABRG1 Q8N1C3 8/20 0.51
GABRG3 Q99928 8/20 0.51
GABRQ Q9UN88 8/20 0.51
GAA P10253 1/20 0.45

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
SCHEMBL10698854 0.85 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6168749 0.84 GABRB3 (0.68) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14996611 0.84 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27772986 0.84 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217535 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28833070 0.81 GABRB3 (0.72) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217492 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10778695 0.78 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10333039 0.78 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL19687265 0.78 HTT (0.51) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1997007102-A1 PARASITICIDAL COMPOUNDS PFIZER INC (US) 1997-02-27 WO disclosed
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 CN disclosed
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed