SCHEMBL4980552

SCHEMBL4980552

CCOC(=O)Nc1c(C2(C(=O)O)CC2C)c(C#N)nn1-c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
AR P10275 1/20 0.31
P2RY12 Q9H244 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
P2RY1 P47900 1/20 0.30

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
SCHEMBL1751986 0.88 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752381 0.84 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4972593 0.83 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3559661 0.80 FFAR4 (0.32) FFAR4CHEK1
SCHEMBL3564170 0.76
SCHEMBL2637835 0.75 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751409 0.75 SMN1; SMN2 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2003503 0.75 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752362 0.75 SMN1; SMN2 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12528509 0.74 GABRB3 (0.42) 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-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 WO disclosed