SCHEMBL12184792

SCHEMBL12184792

CCOC(=O)c1cnc(CN2C(=O)c3ccccc3C2=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.52
GABRG2 P18507 7/20 0.52
GABRB3 P28472 7/20 0.52
GABRA5 P31644 7/20 0.52
GABRA3 P34903 7/20 0.52
GABRA2 P47869 7/20 0.52
GABRP O00591 6/20 0.52
GABRD O14764 6/20 0.52
GABRB1 P18505 6/20 0.52
GABRB2 P47870 6/20 0.52
GABRA4 P48169 6/20 0.52
GABRE P78334 6/20 0.52
GABRA6 Q16445 6/20 0.52
GABRG1 Q8N1C3 6/20 0.52
GABRG3 Q99928 6/20 0.52
GABRQ Q9UN88 6/20 0.52
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL12185210 0.82 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31753009 0.81 CYP1A2 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18137605 0.81 CYP1A2 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18137415 0.77 MAPT (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31752448 0.76 GABRA2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31752433 0.75 GABRA2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19951103 0.75 MAPT (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1019601 0.74 CYP1A2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1233755 0.74 GABRP (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28479976 0.74 MAPK1 (0.49) 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
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed