SCHEMBL4716839

SCHEMBL4716839

[NH]c1ccc2c(n1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM5 P41594 2/20 0.38
FABP6 P51161 1/20 0.36
ADRA2A P08913 4/20 0.33
ADRA2C P18825 4/20 0.33
ADRA1D P25100 4/20 0.33
ADRA1A P35348 4/20 0.33
ADRA1B P35368 4/20 0.33
ADRA2B P18089 3/20 0.33
SYK P43405 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
PRKCI P41743 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGB1 P05556 1/20 0.30

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
SCHEMBL29659230 0.78 MAPT (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL4716840 0.78 MAPT (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL29364018 0.78 ALDH1A1 (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL2492111 0.78 GAA (0.47) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL6107503 0.78 ALDH1A1 (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL23860863 0.78 ALDH1A1 (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL13212813 0.78 ALDH1A1 (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL2596436 0.78 MAPT (0.40) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL21400681 0.74 ALDH1A1 (0.44) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL12405475 0.74 ALDH1A1 (0.37) ALDH1A1GAAMAPTHSD17B10GRM5

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-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed