SCHEMBL7958610

SCHEMBL7958610

CCc1c(C(=O)OC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.50
GABRA2 P47869 11/20 0.50
GABRB2 P47870 11/20 0.50
GABRP O00591 6/20 0.50
GABRD O14764 6/20 0.50
GABRA1 P14867 6/20 0.50
GABRB1 P18505 6/20 0.50
GABRG2 P18507 6/20 0.50
GABRA5 P31644 6/20 0.50
GABRA3 P34903 6/20 0.50
GABRA4 P48169 6/20 0.50
GABRE P78334 6/20 0.50
GABRA6 Q16445 6/20 0.50
GABRG1 Q8N1C3 6/20 0.50
GABRG3 Q99928 6/20 0.50
GABRQ Q9UN88 6/20 0.50
NOTUM Q6P988 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL7812759 0.81 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704114 0.78 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9703978 0.78 GABRB3 (0.55) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501553 0.76 GABRP (0.77) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704834 0.75 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704854 0.75 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8329229 0.74 GABRB3 (0.59) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9197601 0.74 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9196282 0.73 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8783638 0.73 GABRB3 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255333-B1 HUMANS OR ANIMALS PFIZER INC. 2001-07-03 US disclosed