SCHEMBL7707178

SCHEMBL7707178

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N.[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.70
GABRP O00591 19/20 0.70
GABRD O14764 19/20 0.70
GABRA1 P14867 19/20 0.70
GABRB1 P18505 19/20 0.70
GABRG2 P18507 19/20 0.70
GABRA5 P31644 19/20 0.70
GABRA3 P34903 19/20 0.70
GABRA2 P47869 19/20 0.70
GABRB2 P47870 19/20 0.70
GABRA4 P48169 19/20 0.70
GABRE P78334 19/20 0.70
GABRA6 Q16445 19/20 0.70
GABRG1 Q8N1C3 19/20 0.70
GABRG3 Q99928 19/20 0.70
GABRQ Q9UN88 19/20 0.70
NR1I2 O75469 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7707117 0.99 GABRB3 (0.72) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7707060 0.85 GABRA2 (0.71) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7713069 0.85 GABRA2 (0.71) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7713384 0.84 GABRA2 (0.70) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7707356 0.84 GABRA2 (0.70) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7711241 0.84 GABRA2 (0.70) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7715676 0.83 GABRA2 (0.68) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7713525 0.83 GABRA2 (0.68) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7815232 0.82 GABRP (0.55) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL6927580 0.82 GABRP (1.00) GABRB3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
EP-0579280-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1994-01-19 EP disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
EP-0234119-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1987-09-02 EP disclosed
WO-1987003781-A1 PESTICIDAL METHOD USING N-PHENYLPYRAZOLES MAY & BAKER LIMITED (GB) 1987-07-02 WO disclosed