SCHEMBL7671983

SCHEMBL7671983

Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncn(C)n4)nn23)no1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.70
GABRB3 P28472 12/20 0.70
GABRA3 P34903 12/20 0.70
GABRA1 P14867 11/20 0.70
GABRA5 P31644 11/20 0.70
GABRA2 P47869 11/20 0.70
GABRA4 P48169 2/20 0.70
GABRA6 Q16445 1/20 0.38
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL15386010 0.83 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7403627 0.83 GABRG2 (0.49) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2461269 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7672131 0.82 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL19575097 0.81 GABRG2 (0.67) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7667586 0.80 GABRA1 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7663055 0.80 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL12068741 0.79 GABRA1 (0.64) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2655468 0.79 GABRA1 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL19575090 0.78 GABRA1 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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