SCHEMBL8554972

SCHEMBL8554972

N#Cc1n[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1/C=C(\Br)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 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
SMN1; SMN2 Q16637 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
SCHEMBL8552980 1.00 GABRP (0.32) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8552977 1.00 GABRP (0.32) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8553134 0.91 GABRP (0.33) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8550913 0.87 GABRP (0.32) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8550909 0.87 GABRP (0.32) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8554494 0.87 GABRP (0.32) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8555285 0.87 GABRP (0.33) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8557984 0.87 GABRP (0.33) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8401036 0.82 GABRP (0.37) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL8399375 0.82 GABRP (0.34) GABRPGABRDNR1I2LMNACYP3A4

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