Ro-052921

Ro-052921

SCHEMBL6779461

CN1C=CN=C(c2ccccc2)c2ccccc21.O=C1CN=C(c2ccccc2)c2ccccc2N1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.65
GABRA5 P31644 4/20 0.65
GABRA3 P34903 4/20 0.65
GABRA2 P47869 4/20 0.65
GABRB2 P47870 4/20 0.65
GABRG2 P18507 3/20 0.65
GABRB3 P28472 3/20 0.65
CCKBR P32239 1/20 0.50
PDE4D Q08499 2/20 0.49
CNR1 P21554 1/20 0.49
NTSR1 P30989 1/20 0.49
OPRK1 P41145 1/20 0.49
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL6782014 0.82 GABRA1 (0.76) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL29979594 0.81 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL1365706 0.81 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11002761 0.79 CCKBR (0.45) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6784853 0.79 CCKBR (0.45) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11543658 0.71 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615411 0.71 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615408 0.71 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5356267 0.70 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8726318 0.70 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2

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-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed