SCHEMBL6216756

SCHEMBL6216756

Fc1c(-c2cccnc2)cccc1-c1cnc2nc(C(F)(F)F)ccn12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.64
GABRG2 P18507 19/20 0.64
GABRB3 P28472 19/20 0.64
GABRA3 P34903 17/20 0.64
GABRA5 P31644 7/20 0.64
GABRA2 P47869 2/20 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
SCHEMBL6215587 0.89 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218332 0.89 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657650 0.86 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7233506 0.83 GABRG2 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658604 0.83 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659346 0.83 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5770384 0.82 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5262653 0.81 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658722 0.81 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6220198 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5

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-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP claimed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed