SCHEMBL6595059

SCHEMBL6595059

FC(F)(F)c1cc(N2CC[N]CC2)c2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.73
MAPK1 P28482 1/20 0.65
MAPT P10636 1/20 0.58
ADRA2A P08913 1/20 0.51
HTR2C P28335 1/20 0.51
AXL P30530 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
NCF1 P14598 7/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
ADORA2A P29274 1/20 0.45

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
SCHEMBL30058924 0.84 ADRB2 (1.00) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL6125222 0.84 ADRB2 (0.72) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL2711296 0.84 ADRB2 (1.00) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL23362148 0.82 ADRB2 (0.68) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL30058841 0.82 ADRB2 (0.68) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL23362808 0.81 MAPK1 (0.82) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL2724231 0.80 ADRB2 (0.90) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL895026 0.79 ADRB2 (0.64) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL3863739 0.79 NCF1 (0.70) ADRB2MAPK1MAPTADRA2AHTR2C
SCHEMBL5310874 0.78 MAPK1 (0.69) ADRB2MAPK1MAPTADRA2AHTR2C

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-1069124-B1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER (US) 2004-05-12 EP disclosed