SCHEMBL7813129

SCHEMBL7813129

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 19/20 0.57
GABRD O14764 19/20 0.57
GABRA1 P14867 19/20 0.57
GABRB1 P18505 19/20 0.57
GABRG2 P18507 19/20 0.57
GABRB3 P28472 19/20 0.57
GABRA5 P31644 19/20 0.57
GABRA3 P34903 19/20 0.57
GABRA2 P47869 19/20 0.57
GABRB2 P47870 19/20 0.57
GABRA4 P48169 19/20 0.57
GABRE P78334 19/20 0.57
GABRA6 Q16445 19/20 0.57
GABRG1 Q8N1C3 19/20 0.57
GABRG3 Q99928 19/20 0.57
GABRQ Q9UN88 19/20 0.57
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL7815388 0.91 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7819051 0.86 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7713384 0.86 GABRA2 (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6554265 0.85 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6553857 0.85 GABRA2 (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6554022 0.83 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7947688 0.82 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7815705 0.81 GABRA2 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7812027 0.81 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7707076 0.79 GABRB3 (0.64) 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 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