SCHEMBL7814980

SCHEMBL7814980

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Br)c1C(Br)=C(Br)Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.50
GABRA2 P47869 16/20 0.50
GABRB2 P47870 16/20 0.50
GABRP O00591 13/20 0.50
GABRD O14764 13/20 0.50
GABRA1 P14867 13/20 0.50
GABRB1 P18505 13/20 0.50
GABRG2 P18507 13/20 0.50
GABRA5 P31644 13/20 0.50
GABRA3 P34903 13/20 0.50
GABRA4 P48169 13/20 0.50
GABRE P78334 13/20 0.50
GABRA6 Q16445 13/20 0.50
GABRG1 Q8N1C3 13/20 0.50
GABRG3 Q99928 13/20 0.50
GABRQ Q9UN88 13/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7812962 0.87 GABRA2 (0.60) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9780269 0.84 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7811860 0.81 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7811859 0.81 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7811856 0.79 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7811853 0.79 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7811854 0.79 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7805643 0.79 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7022491 0.78 GABRB3 (0.55) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835177 0.78 GABRB3 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871617-B1 PARASITICIDAL COMPOUNDS PFIZER (US) 2001-11-14 EP disclosed
US-6255333-B1 HUMANS OR ANIMALS PFIZER INC. 2001-07-03 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