SCHEMBL30487484

SCHEMBL30487484

O=C(CNC(=O)[C@@H]1CCCN1)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
CTSC P53634 2/20 0.53
TERT O14746 1/20 0.48
ACE P12821 1/20 0.47
MBTPS1 Q14703 1/20 0.46
TACR1 P25103 1/20 0.45
POLB P06746 2/20 0.43
TYR P14679 1/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL31332188 0.89 CTSC (0.61) HTR2CHTR2BCTSCACEMBTPS1
SCHEMBL27534677 0.89 CTSC (0.61) HTR2CHTR2BCTSCACEMBTPS1
SCHEMBL5573176 0.89 CTSC (0.61) HTR2CHTR2BCTSCACEMBTPS1
SCHEMBL30487486 0.89 HTR2C (0.51) HTR2CHTR2BCTSCTERTKDM4E
SCHEMBL30052990 0.88 CTSC (0.57) HTR2CHTR2BCTSCTERTKDM4E
SCHEMBL30487449 0.88 CTSC (0.57) HTR2CHTR2BCTSCTERTKDM4E
SCHEMBL21704502 0.85 CTSC (0.57) HTR2CHTR2BCTSCACEMBTPS1
SCHEMBL29630612 0.84 CTSC (0.53) HTR2CHTR2BCTSCTERTKDM4E
SCHEMBL18374167 0.84 TERT (0.48) HTR2CHTR2BCTSCTERTKDM4E
SCHEMBL20415585 0.82 TERT (0.51) HTR2CHTR2BCTSCTERTACE

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