SCHEMBL8552378

SCHEMBL8552378

C#Cc1c(C(F)(F)F)n[nH]c1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8557118 0.86 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8556532 0.83 NOTUM (0.32) NOTUMALDH1A1GAAHTT
SCHEMBL8554505 0.82 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28740482 0.79 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8553552 0.78 NOTUM (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7966297 0.70 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8550923 0.70 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7254061 0.70 IKBKB (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8556152 0.69 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8555613 0.69 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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