SCHEMBL7815134

SCHEMBL7815134

C#Cc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.45
GABRA2 P47869 17/20 0.45
GABRB2 P47870 17/20 0.45
GABRP O00591 15/20 0.45
GABRD O14764 15/20 0.45
GABRA1 P14867 15/20 0.45
GABRB1 P18505 15/20 0.45
GABRG2 P18507 15/20 0.45
GABRA5 P31644 15/20 0.45
GABRA3 P34903 15/20 0.45
GABRA4 P48169 15/20 0.45
GABRE P78334 15/20 0.45
GABRA6 Q16445 15/20 0.45
GABRG1 Q8N1C3 15/20 0.45
GABRG3 Q99928 15/20 0.45
GABRQ Q9UN88 15/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 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
SCHEMBL7805678 0.89 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7805802 0.82 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7707109 0.81 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7815622 0.76 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7815296 0.75 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055889 0.74 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7805643 0.74 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6553857 0.74 GABRA2 (0.65) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7713341 0.74 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7811896 0.73 GABRP (0.58) 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 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