SCHEMBL30487486

SCHEMBL30487486

CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
TERT O14746 1/20 0.48
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CTSK P43235 6/20 0.46
CTSC P53634 1/20 0.45
S1PR4 O95977 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
S1PR1 P21453 1/20 0.44
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL7015789 0.90 CTSC (0.53) HTR2CHTR2BCTSKCTSCS1PR4
SCHEMBL6858875 0.90 CTSC (0.53) HTR2CHTR2BCTSKCTSCS1PR4
SCHEMBL6858874 0.90 CTSC (0.53) HTR2CHTR2BCTSKCTSCS1PR4
SCHEMBL30487484 0.89 HTR2C (0.53) HTR2CHTR2BTERTCTSCS1PR4
SCHEMBL464708 0.83 CTSC (0.48) TERTCTSCCTSB
SCHEMBL29862892 0.82 CTSK (0.49) HTR2CHTR2BGAATAAR1CTSK
SCHEMBL8130548 0.81 HTR2C (0.57) HTR2CHTR2BCTSCKDM4E
SCHEMBL8130551 0.81 HTR2C (0.57) HTR2CHTR2BCTSCKDM4E
SCHEMBL8773336 0.81 HTR2C (0.57) HTR2CHTR2BCTSCKDM4E
SCHEMBL8773337 0.81 HTR2C (0.57) HTR2CHTR2BCTSCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836224-A Tetrapeptide compound TP-5, and preparation method and application thereof 兰州大学 2023-10-03 CN disclosed
CN-116655732-A Tetrapeptide compound TP-2, preparation method and application 兰州大学 2023-08-29 CN disclosed
CN-116574155-A Tetrapeptide compound TP-4, preparation method and application 兰州大学 2023-08-11 CN disclosed
CN-116535462-A Tetrapeptide compound TP-6, and preparation method and application thereof 兰州大学 2023-08-04 CN disclosed
CN-116535461-A Tetrapeptide compound TP-3, preparation method and application 兰州大学 2023-08-04 CN disclosed
CN-109517032-B Tetrapeptide compound and preparation method and application thereof 兰州大学 2023-07-28 CN disclosed