SCHEMBL14960229

SCHEMBL14960229

C#Cc1ccc2c(c1)C(c1ccccc1)=N[C@@H](C)C(=O)N2C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.63
GABRA5 P31644 8/20 0.63
GABRA2 P47869 8/20 0.63
GABRB2 P47870 6/20 0.63
GABRA3 P34903 6/20 0.63
GABRG2 P18507 4/20 0.63
GABRB3 P28472 4/20 0.63
LMNA P02545 1/20 0.52
OPRK1 P41145 1/20 0.52
PDE3A Q14432 1/20 0.52
CCKBR P32239 3/20 0.52
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49

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
SCHEMBL14960226 1.00 GABRA1 (0.63) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL14960248 0.87 GABRA1 (0.67) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL31696017 0.87 OPRK1 (0.69) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL26767935 0.86 GABRA1 (0.50) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL13524252 0.85 GABRA1 (0.65) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL13523787 0.84 GABRA3 (0.49) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2922460 0.81 GABRA1 (0.55) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2923658 0.81 GABRA1 (0.55) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2615366 0.81 OPRK1 (0.55) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2928698 0.81 LMNA (0.55) GABRA1GABRA5GABRA2GABRB2GABRA3

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-2231623-B1 5-PHENYL-1H-BENZO[E][1, 4]DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIV FIRENZE (IT) 2013-05-22 EP disclosed