SCHEMBL29898367

SCHEMBL29898367

N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.67
ACE P12821 6/20 0.67
CPA1 P15085 4/20 0.67
ACE2 Q9BYF1 4/20 0.67
FCER2 P06734 3/20 0.57
OPRD1 P41143 1/20 0.57
CA2 P00918 1/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PIN1 Q13526 2/20 0.51
CTSC P53634 1/20 0.50

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
SCHEMBL31264142 0.97 MME (0.66) MMEACECPA1ACE2FCER2
SCHEMBL29494074 0.97 MME (0.66) MMEACECPA1ACE2FCER2
SCHEMBL30519188 0.94 OPRD1 (0.65) MMEACECPA1ACE2FCER2
SCHEMBL29576006 0.93 MME (0.61) MMEACECPA1ACE2FCER2
SCHEMBL29575342 0.93 MME (0.61) MMEACECPA1ACE2FCER2
SCHEMBL31215105 0.92 MME (0.57) MMEACECPA1ACE2FCER2
SCHEMBL31215087 0.92 MME (0.57) MMEACECPA1ACE2FCER2
SCHEMBL31215093 0.91 MME (0.56) MMEACECPA1ACE2FCER2
SCHEMBL31215126 0.91 MME (0.56) MMEACECPA1ACE2FCER2
SCHEMBL31129127 0.90 MME (0.55) MMEACECPA1ACE2FCER2

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
CN-114920804-B Cetrorelix synthesis process capable of being directly used for pilot scale amplification 厦门胜泽泰医药科技有限公司 2024-07-30 CN disclosed
CN-115141257-A Purification method of degarelix 浙江苏泊尔制药有限公司 2022-10-04 CN disclosed