SCHEMBL27807958

SCHEMBL27807958

CCN1Cc2nc3c(-c4cnccc4OC)c(F)ccc3c(N)c2C1C=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 10/20 0.36
▸ GABRB3 P28472 10/20 0.36
▸ GABRA2 P47869 10/20 0.36
▸ MAP4K1 Q92918 3/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30

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
SCHEMBL27785932 0.89 LCK (0.33) MAP4K1
SCHEMBL28787439 0.87 GABRG2 (0.36) GABRG2GABRB3GABRA2
SCHEMBL27807949 0.87 GABRG2 (0.35) GABRG2GABRB3GABRA2MAP4K1
SCHEMBL27807932 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL27786019 0.85 GABRG2 (0.47) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL28784319 0.84 GABRG2 (0.39) GABRG2GABRB3GABRA2MAP4K1GABRA1
SCHEMBL27807952 0.84 GABRG2 (0.34) GABRG2GABRB3GABRA2
SCHEMBL27807947 0.83 GABRG2 (0.37) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL27807963 0.82 GABRG2 (0.50) GABRG2GABRB3GABRA2
SCHEMBL27807926 0.82 ALDH1A1 (0.31) GABRG2GABRB3GABRA2GABRA1GABRA5

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
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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