SCHEMBL7665241

SCHEMBL7665241

Cc1cc(-c2nncc3c(-c4ccco4)c(OC(C)c4ncn[nH]4)nn23)no1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 11/20 0.40
GABRB3 P28472 11/20 0.40
GABRA3 P34903 11/20 0.40
GABRA1 P14867 9/20 0.40
GABRA5 P31644 9/20 0.40
GABRA2 P47869 9/20 0.40
GABRA4 P48169 2/20 0.40
GABRA6 Q16445 1/20 0.33

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
SCHEMBL7663093 0.84 GABRA1 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2461273 0.82 GABRA1 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7665235 0.75 GABRG2 (0.70) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7403631 0.72 GABRG2 (0.40) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7671992 0.66 GABRA1 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7403627 0.62 GABRG2 (0.49) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL17244529 0.60 MAPT (0.62)
SCHEMBL7667586 0.59 GABRA1 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7663055 0.59 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7672131 0.59 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA5

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-6355638-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 US disclosed