SCHEMBL4716840

SCHEMBL4716840

Nc1ccc2c(n1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM5 P41594 2/20 0.38
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
DYRK1A Q13627 2/20 0.36
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
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PRKCI P41743 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL18053842 0.89 JAK2 (0.37) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL23860863 0.81 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL29364018 0.81 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL13212813 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL2596436 0.78 MAPT (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL29659230 0.78 MAPT (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL6107503 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL4716839 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL2492111 0.78 GAA (0.47) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL21400681 0.74 ALDH1A1 (0.44) MAPTALDH1A1GAAHSD17B10GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed