SCHEMBL7225161

SCHEMBL7225161

CC(C)(O)c1ccn2c(-c3cccc(-c4ccc(F)cc4C#N)c3)cnc2n1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.78
GABRG2 P18507 20/20 0.78
GABRB3 P28472 20/20 0.78
GABRA3 P34903 18/20 0.78
GABRA5 P31644 15/20 0.78
GABRA2 P47869 6/20 0.78

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
SCHEMBL7223499 0.89 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216804 0.88 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5771224 0.87 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7226768 0.85 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660125 0.85 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5768854 0.82 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218146 0.82 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769631 0.81 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659569 0.81 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7232071 0.80 GABRA1 (0.81) 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