SCHEMBL27601754

SCHEMBL27601754

CC(C)[C@H](N)C(=O)c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17201709 0.88 SPHK1 (0.32) SLC6A3PGRADRA2AADRA2BHTR2A
SCHEMBL27262005 0.83 ELANE (0.33) SLC6A3PGRADRA2AADRA2BHTR2A
SCHEMBL27338904 0.83 ELANE (0.33) SLC6A3PGRADRA2AADRA2BHTR2A
SCHEMBL8228098 0.79 PGR (0.48) SLC7A5PGRADRA2AADRA2BHTR2A
SCHEMBL7432353 0.79 PGR (0.48) SLC7A5PGRADRA2AADRA2BHTR2A
SCHEMBL19318480 0.79 PGR (0.48) SLC7A5PGRADRA2AADRA2BHTR2A
SCHEMBL4316411 0.79 KDM4E (0.47) SLC6A3PGRADRA2AADRA2BHTR2A
Hydrochloric Acid SCHEMBL10728681 0.78 MAPT (0.49) SLC7A5PGRADRA2AADRA2BHTR2A
Hydrochloric Acid SCHEMBL10728669 0.78 MAPT (0.49) SLC7A5PGRADRA2AADRA2BHTR2A
SCHEMBL9658758 0.78 CA1 (0.47) SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522249-C Elongated multiple spacers in activatable prodrugs SINTAGAR B V (NL) 2009-08-05 CN claimed
CN-1511044-A Elogated and multiple spacers in activatible prodrugs 2004-07-07 CN claimed
CN-100522249-C Elongated multiple spacers in activatable prodrugs SINTAGAR B V (NL) 2009-08-05 CN disclosed