SCHEMBL7500463

SCHEMBL7500463

Cc1c(OC(=O)OC(C)C)ncc2[nH]c3ccc(O)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.47
GABRG2 P18507 10/20 0.47
GABRB3 P28472 10/20 0.47
GABRA5 P31644 10/20 0.47
GABRA3 P34903 10/20 0.47
GABRA2 P47869 10/20 0.47
GABRA4 P48169 8/20 0.47
GABRA6 Q16445 8/20 0.47
GABRP O00591 7/20 0.47
GABRD O14764 7/20 0.47
GABRB1 P18505 7/20 0.47
GABRB2 P47870 7/20 0.47
GABRE P78334 7/20 0.47
GABRG1 Q8N1C3 7/20 0.47
GABRG3 Q99928 7/20 0.47
GABRQ Q9UN88 7/20 0.47
UBE2N P61088 1/20 0.45
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FGFR3 P22607 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
SCHEMBL9838495 0.85 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8176654 0.82 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840103 0.81 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839891 0.75 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7503968 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838999 0.75 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537243 0.75 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7500380 0.74 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839100 0.74 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839932 0.74 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-0820454-B1 ANELLATED BETA-CARBOLINES SCHERING AG (DE) 2002-07-24 EP disclosed