SCHEMBL7950826

SCHEMBL7950826

CCc1cnc(COc2nn3c(-c4ccccc4)nnc3cc2-c2ccccc2)s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 17/20 0.61
GABRB3 P28472 17/20 0.61
GABRA3 P34903 17/20 0.61
GABRA1 P14867 16/20 0.61
GABRA2 P47869 15/20 0.61
GABRA5 P31644 11/20 0.48
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL339241 0.89 GABRG2 (0.64) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341741 0.79 GABRG2 (0.62) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340896 0.77 GABRA1 (0.78) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341650 0.76 GABRG2 (0.67) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL342027 0.76 GABRA1 (0.69) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340744 0.76 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341851 0.76 GABRA1 (0.69) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6040307 0.75 GABRA1 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341055 0.75 GABRA1 (0.63) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341709 0.75 GABRA1 (0.62) GABRG2GABRB3GABRA3GABRA1GABRA2

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-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US claimed