SCHEMBL14217668

SCHEMBL14217668

Cc1ncn2c1CN=C(c1ccccc1F)c1cc(Br)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.51
GABRB3 P28472 12/20 0.51
GABRA3 P34903 8/20 0.51
GABRA5 P31644 12/20 0.49
GABRA1 P14867 6/20 0.49
GABRA2 P47869 6/20 0.49
GABRB2 P47870 2/20 0.47
SLC22A1 O15245 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP3A4 P08684 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
PDE4D Q08499 1/20 0.45
TSHR P16473 1/20 0.43
PTAFR P25105 1/20 0.43

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
SCHEMBL19922696 0.85 GABRA3 (0.54) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL8349557 0.84 GABRA3 (0.47) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL13061778 0.84 GABRA3 (0.70) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL637130 0.83 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL19929180 0.82 GABRA3 (0.51) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL19368412 0.82 GABRA3 (0.56) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL2845958 0.82 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL19929209 0.81 GABRA3 (0.58) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL18096716 0.79 GABRA3 (0.76) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL11509201 0.79 GABRA1 (0.49) GABRG2GABRB3GABRA3GABRA5GABRA1

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
EP-1925614-A1 Anxiolytic agents with reduced sedative and ataxic effects Wisys Technology Foundation, Inc. (US) 2008-05-28 EP disclosed