SCHEMBL7225707

SCHEMBL7225707

COC(C)(OC)c1ccn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.76
GABRG2 P18507 20/20 0.76
GABRB3 P28472 20/20 0.76
GABRA3 P34903 17/20 0.76
GABRA5 P31644 12/20 0.76
GABRA2 P47869 6/20 0.71

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
SCHEMBL7232071 0.91 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7224808 0.87 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6219294 0.87 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7226460 0.85 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659147 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7225873 0.82 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7232216 0.82 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7224533 0.81 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7224745 0.80 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7233077 0.80 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA3GABRA5

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-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 US claimed
US-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 US disclosed