SCHEMBL8977559

SCHEMBL8977559

NC(CCC(N)c1ncc[nH]1)B(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ANPEP P15144 1/20 0.31
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
FPR2 P25090 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
Bromide SCHEMBL28096064 0.78 F2RL1 (0.35) F2RL1ADRA2AADRA2BADRA2CCSNK1A1
SCHEMBL2929069 0.75 FPR2 (0.41) F2RL1ADRA2AADRA2BADRA2CFPR2
SCHEMBL7421789 0.75 FPR2 (0.41) F2RL1ADRA2AADRA2BADRA2CFPR2
SCHEMBL2458385 0.74 F2RL1 (0.33) F2RL1ADRA2AADRA2BADRA2C
SCHEMBL9315694 0.73 TBXAS1 (0.44) ADRA2AADRA2BADRA2CANPEPCSNK1A1
SCHEMBL28096061 0.73 FPR2 (0.34) F2RL1CSNK1A1TYRO3DYRK1BFPR2
SCHEMBL17144967 0.72 HTR1A (0.36) F2RL1ADRA2AADRA2BADRA2C
SCHEMBL1306359 0.71
SCHEMBL7416391 0.71
SCHEMBL3377059 0.69 TAAR1 (0.47) ADRA2AADRA2BADRA2C

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-5543526-A 1-amino-4-(1H-imidazole)- aminobutaneboronic acid derivatives, their preparation and use as synthetic intermediates SYNTHELABO (FR) 1996-08-06 US disclosed