SCHEMBL7393306

SCHEMBL7393306

CCN(CC)C(CC=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
PGR P06401 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
KCNH2 Q12809 1/20 0.32
FDPS P14324 1/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9683571 0.81 GRIK1 (0.37) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL1116503 0.79 CA12 (0.33)
SCHEMBL30053640 0.77 CHRNB2 (0.32)
SCHEMBL22288093 0.77
SCHEMBL19886164 0.77 FDPS (0.37) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL28616559 0.77 HTR2A (0.40) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL155767 0.77 FDPS (0.37) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL3785080 0.77 FDPS (0.37) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL20521476 0.75 OR51E2 (0.36) HTR2AHRH1PGRADRA2AADRA2B
SCHEMBL305175 0.75 OR51E2 (0.36) HTR2AHRH1PGRADRA2AADRA2B

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-2000055156-A1 SUBSTITUTED AROMATIC AMIDINE DERIVATIVE AND MEDICINAL COMPOSITION COMPRISING THE SAME C & C RESEARCH LABORATORIES (KR) 2000-09-21 WO claimed
WO-2000055156-A1 SUBSTITUTED AROMATIC AMIDINE DERIVATIVE AND MEDICINAL COMPOSITION COMPRISING THE SAME C & C RESEARCH LABORATORIES (KR) 2000-09-21 WO disclosed