SCHEMBL6669804

SCHEMBL6669804

COc1cc(C(O)CCNCc2ccc3[nH]cc(C(=O)N(C)Cc4ccc(Cl)cc4)c(=O)c3c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.47
GABRD O14764 5/20 0.47
GABRA1 P14867 5/20 0.47
GABRB1 P18505 5/20 0.47
GABRG2 P18507 5/20 0.47
GABRB3 P28472 5/20 0.47
GABRA5 P31644 5/20 0.47
GABRA3 P34903 5/20 0.47
GABRA2 P47869 5/20 0.47
GABRB2 P47870 5/20 0.47
GABRA4 P48169 5/20 0.47
GABRE P78334 5/20 0.47
GABRA6 Q16445 5/20 0.47
GABRG1 Q8N1C3 5/20 0.47
GABRG3 Q99928 5/20 0.47
GABRQ Q9UN88 5/20 0.47
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 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
SCHEMBL6669904 0.94 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7847448 0.87 GABRA1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6671873 0.86 TP53 (0.48) GABRA1GABRB2TP53MAPTGAA
SCHEMBL6670716 0.79 TP53 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6669810 0.75 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7834064 0.74 GAA (0.51) GABRA1GABRB2TP53MAPTGAA
SCHEMBL7845846 0.74 GAA (0.51) GABRA1GABRB2TP53MAPTGAA
SCHEMBL7834337 0.72 KDM4E (0.49) GABRA1GABRB1GABRA3GABRB2TP53
SCHEMBL7834749 0.70 GAA (0.48) GABRA1GABRB2TP53MAPTGAA
SCHEMBL7843694 0.70 GAA (0.46) GABRA1GABRB2TP53MAPTGAA

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed