SCHEMBL6784853

SCHEMBL6784853

CN1C=CN=C(c2ccccc2)c2ccccc21.CN1C=CN=C(c2ccccc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.45
GABRA1 P14867 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38

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
SCHEMBL11002761 1.00 CCKBR (0.45) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6782014 0.83 GABRA1 (0.76) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL27473419 0.82 OPRK1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
Ro-052921 SCHEMBL6779461 0.79 GABRA1 (0.65) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6782579 0.77 GABRA1 (0.42) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL27473017 0.76 LMNA (0.58) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL7211800 0.72 NPSR1 (0.36) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL6629194 0.70 CCKBR (0.57) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL28120473 0.70 CCKBR (0.50) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL27528226 0.68 CCKBR (0.51) CCKBRGABRA1GABRG2GABRB3GABRA5

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