SCHEMBL7224413

SCHEMBL7224413

COc1ccccc1-c1cccc(-c2cnc3nc(C)ccn23)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.67
GABRG2 P18507 7/20 0.67
GABRB3 P28472 7/20 0.67
GABRA3 P34903 5/20 0.67
GABRA5 P31644 3/20 0.67
GABRA2 P47869 3/20 0.67
FYN P06241 5/20 0.43
MAPT P10636 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HTR7 P34969 1/20 0.41
PAX8 Q06710 1/20 0.41
SRC P12931 1/20 0.39

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
SCHEMBL7224559 0.83 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7225665 0.82 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659147 0.81 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7231276 0.81 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7225939 0.78 GABRG2 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7226062 0.78 GABRG2 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7225937 0.78 GABRG2 (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7232228 0.77 GABRG2 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7233140 0.76 GABRG2 (0.73) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7234152 0.76 GABRA1 (0.60) 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