SCHEMBL29630473

SCHEMBL29630473

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ ANPEP P15144 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ REN P00797 4/20 0.38
▸ CAPN1 P07384 4/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CALCRL Q16602 4/20 0.38
▸ RAMP1 O60894 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ PSMB9 P28065 1/20 0.37

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
SCHEMBL29720744 0.87 ITGB1 (0.42) —
SCHEMBL30254127 0.85 CALCRL (0.47) SLC6A2PTPN1RENCALCRLRAMP1
SCHEMBL31257034 0.85 CALCRL (0.50) SLC6A2ANPEPLNPEPRENCALCRL
SCHEMBL30253903 0.84 SLC6A2 (0.51) SLC6A2RENCALCRL
SCHEMBL30769779 0.84 TRHR (0.37) PTPN1RENPSMB9
SCHEMBL30563232 0.82 APLNR (0.42) PTPN1REN
SCHEMBL30274845 0.82 TRHR (0.46) —
SCHEMBL31362657 0.82 NTSR2 (0.45) PTPN1ANPEPLNPEPREN
SCHEMBL30769690 0.82 CTSL (0.39) PTPN1REN
SCHEMBL30974615 0.82 CALCRL (0.46) SLC6A2PTPN1ANPEPLNPEPREN

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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