SCHEMBL7948029

SCHEMBL7948029

CCCCc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ncnn1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.56
GABRG2 P18507 19/20 0.56
GABRB3 P28472 19/20 0.56
GABRA3 P34903 19/20 0.56
GABRA2 P47869 17/20 0.56
GABRA5 P31644 14/20 0.56
GABRA4 P48169 2/20 0.56
GABRA6 Q16445 1/20 0.39
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL6997836 0.91 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655855 0.91 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23554590 0.83 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7962419 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7092981 0.82 GABRG2 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6997913 0.82 GABRG2 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6995185 0.82 GABRG2 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656160 0.81 GABRG2 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7002723 0.80 GABRG2 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2650055 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA2

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-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed