SCHEMBL14217666

SCHEMBL14217666

C#Cc1ccc2c(c1)C(c1ccccc1F)=NCC(NC)=N2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.55
GABRA5 P31644 9/20 0.55
GABRA2 P47869 9/20 0.55
GABRA3 P34903 8/20 0.55
GABRB2 P47870 6/20 0.55
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
PTAFR P25105 2/20 0.35

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
SCHEMBL7725912 0.84 GABRA1 (0.53) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL7311280 0.83 CHRM1 (0.51)
SCHEMBL7312587 0.81 TP53 (0.39) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL11833620 0.79 GABRA5 (0.44) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL11830651 0.78 GABRA3 (0.42) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL7721718 0.78 GABRA3 (0.38) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL11826182 0.76 GABRA1 (0.47) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL11826517 0.76 CHRM1 (0.47) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL8933495 0.76 GABRA3 (0.41) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL8274468 0.76 GABRA3 (0.51) GABRA1GABRA5GABRA2GABRA3GABRB2

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
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
EP-1925614-A1 Anxiolytic agents with reduced sedative and ataxic effects Wisys Technology Foundation, Inc. (US) 2008-05-28 EP disclosed