SCHEMBL8556916

SCHEMBL8556916

Cc1n[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.37
GABRB3 P28472 8/20 0.36
GABRA2 P47869 7/20 0.36
GABRB2 P47870 7/20 0.36
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRE P78334 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRG1 Q8N1C3 3/20 0.36
GABRG3 Q99928 3/20 0.36
GABRQ Q9UN88 3/20 0.36
NOTUM Q6P988 2/20 0.34
PDE2A O00408 1/20 0.32
IL1B P01584 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
SCHEMBL8553552 0.83 NOTUM (0.35) IKBKBGABRB3GABRA2GABRB2GABRP
SCHEMBL8557118 0.79 GABRB3 (0.41) IKBKBGABRB3GABRA2GABRB2GABRP
SCHEMBL8399498 0.78 GABRP (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8555407 0.78 GABRB3 (0.36) IKBKBGABRB3GABRA2GABRB2GABRP
SCHEMBL8558752 0.78 P2RX7 (0.30) IKBKB
SCHEMBL8550675 0.76 IKBKB (0.50) IKBKBGABRB3GABRA2GABRB2GABRP
SCHEMBL8555869 0.74 IKBKB (0.44) IKBKBGABRB3GABRA2GABRB2GABRP
SCHEMBL18424213 0.73 GLP1R (0.36) IKBKBGABRB3GABRA2GABRB2GABRP
SCHEMBL22366935 0.70 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL22366856 0.70 GABRB3 (0.44) 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 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