SCHEMBL7960847

SCHEMBL7960847

C[Si](C)(C)C#Cc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 14/20 0.42
GABRB2 P47870 14/20 0.42
GABRP O00591 13/20 0.42
GABRD O14764 13/20 0.42
GABRA1 P14867 13/20 0.42
GABRB1 P18505 13/20 0.42
GABRG2 P18507 13/20 0.42
GABRB3 P28472 13/20 0.42
GABRA5 P31644 13/20 0.42
GABRA3 P34903 13/20 0.42
GABRA4 P48169 13/20 0.42
GABRE P78334 13/20 0.42
GABRA6 Q16445 13/20 0.42
GABRG1 Q8N1C3 13/20 0.42
GABRG3 Q99928 13/20 0.42
GABRQ Q9UN88 13/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7962216 0.86 GABRA2 (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7811894 0.82 GABRB3 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7805692 0.79 GABRB3 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6554022 0.79 GABRP (0.60) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7812202 0.78 GABRB3 (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7711255 0.74 GABRB3 (0.53) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9013095 0.72 GABRA2 (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7707108 0.72 GABRB3 (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7815705 0.72 GABRA2 (0.56) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL3111495 0.71 GABRP (0.56) GABRA2GABRB2GABRPGABRDGABRA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255333-B1 HUMANS OR ANIMALS PFIZER INC. 2001-07-03 US disclosed