SCHEMBL7812904

SCHEMBL7812904

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C#CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRB3 P28472 4/20 0.43
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7805466 0.89 GABRA2 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL7815630 0.88 GABRA2 (0.43) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL7812651 0.85 GABRA2 (0.42) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL6055657 0.85 GABRB3 (0.45) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL28033619 0.83 GRM5 (0.42) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL28034184 0.82 GABRB3 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL28034268 0.82 GABRA2 (0.42) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL28034241 0.82 GABRB3 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL6555658 0.79 GABRA2 (0.46) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9780151 0.79 GABRA2 (0.46) GABRA2GABRB2GABRB3GABRPGABRD

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