SCHEMBL4654247

SCHEMBL4654247

CCCC(F)NC(=O)C(=O)NC(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.41
MME P08473 2/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL4655280 0.82 BIRC2 (0.41) MAPTSMN1; SMN2ALDH1A1CA1KDM4E
SCHEMBL4746531 0.79 CHRM1 (0.43) FAAHMMEACECPA1ACE2
SCHEMBL288381 0.76
SCHEMBL6329787 0.71 HDAC1 (0.54) FAAHMMEACECPA1ACE2
SCHEMBL14434500 0.71 HDAC1 (0.54) FAAHMMEACECPA1ACE2
SCHEMBL15223618 0.71 PLA2G2A (0.50) FAAHMMEACECPA1ACE2
SCHEMBL15223615 0.70 MME (0.46) FAAHMMEACECPA1ACE2
SCHEMBL6016800 0.70 MME (0.46) FAAHMMEACECPA1ACE2
SCHEMBL15154265 0.69 MME (0.39) MMEACECPA1ACE2MAPT
SCHEMBL43483 0.68 MME (0.42) MMEACECPA1ACE2MAPT

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
EP-1989180-A1 MODIFIED AMINO ACIDS Technische Universität Wien (AT) 2008-11-12 EP disclosed
WO-2007095980-A1 MODIFIED AMINO ACIDS TECHNISCHE UNIVERSITÄT WIEN (AT) 2007-08-30 WO disclosed