SCHEMBL30517397

SCHEMBL30517397

O=C(O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.58
REN P00797 2/20 0.51
MME P08473 2/20 0.50
CALCRL Q16602 1/20 0.49
GHSR Q92847 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PSMB5 P28074 2/20 0.44
EED O75530 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL31514344 0.94 CTSC (0.53) CTSCRENMMECALCRLGHSR
SCHEMBL29702042 0.93 CTSC (0.63) CTSCRENMMEGHSRLMNA
SCHEMBL30546877 0.93 CTSC (0.63) CTSCRENMMEGHSRLMNA
SCHEMBL29701979 0.93 CTSC (0.63) CTSCRENMMEGHSRLMNA
SCHEMBL10869077 0.93 CTSC (0.55) CTSCRENMMECALCRLLMNA
SCHEMBL29706129 0.90 CTSC (0.59) CTSCRENMMEGHSRLMNA
SCHEMBL30310095 0.89 CTSC (0.58) CTSCRENMMEGHSRLMNA
SCHEMBL601567 0.89 CTSC (0.68) CTSCMMELMNATDP1HTR2C
SCHEMBL21808154 0.89 CTSC (0.68) CTSCMMELMNATDP1HTR2C
SCHEMBL31026629 0.89 CTSC (0.68) CTSCMMELMNATDP1HTR2C

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
CN-116507763-A Peptide synthesis method for inhibiting defects caused by diketopiperazine formation 中外制药株式会社 2023-07-28 CN disclosed