SCHEMBL7233140

SCHEMBL7233140

Cc1ccn2c(-c3cccc(-c4cccnc4C#N)c3)cnc2n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.73
GABRB3 P28472 18/20 0.73
GABRA1 P14867 17/20 0.73
GABRA3 P34903 15/20 0.73
GABRA5 P31644 11/20 0.73
GABRA2 P47869 6/20 0.73
GRM5 P41594 1/20 0.43
BACE1 P56817 1/20 0.41

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
SCHEMBL2659147 0.84 GABRA1 (1.00) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7226768 0.79 GABRA1 (0.77) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7224559 0.78 GABRA1 (0.70) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7227602 0.78 GABRG2 (0.64) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7232228 0.77 GABRG2 (0.61) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7224413 0.76 GABRA1 (0.67) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7231276 0.76 GABRA1 (0.66) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7234152 0.74 GABRA1 (0.60) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7225939 0.73 GABRG2 (0.62) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7226062 0.73 GABRG2 (0.62) GABRG2GABRB3GABRA1GABRA3GABRA5

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