SCHEMBL29478039

SCHEMBL29478039

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.48
▸ LTA4H P09960 1/20 0.43
▸ CTSC P53634 1/20 0.42
▸ SLC15A1 P46059 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41

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
SCHEMBL29546019 0.96 MME (0.51) MMELTA4HCTSC
SCHEMBL3881794 0.94 CTSC (0.47) MMECTSC
SCHEMBL17293355 0.94 CTSC (0.47) MMECTSC
SCHEMBL7277021 0.94 CTSC (0.47) MMECTSC
SCHEMBL9667576 0.94 CTSC (0.47) MMECTSC
SCHEMBL7277013 0.94 CTSC (0.47) MMECTSC
SCHEMBL9666897 0.94 CTSC (0.47) MMECTSC
SCHEMBL9667566 0.94 CTSC (0.47) MMECTSC
SCHEMBL9672005 0.94 CTSC (0.47) MMECTSC
SCHEMBL31259942 0.93 MME (0.47) MME

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-114163493-B Polypeptide capable of serving as type 5 phosphodiesterase inhibitor and application thereof 浙大宁波理工学院 2023-09-15 — — CN claimed
CN-114163493-A Polypeptide capable of being used as phosphodiesterase type 5 inhibitor and application thereof 浙大宁波理工学院 2022-03-11 — — CN claimed
CN-114163493-B Polypeptide capable of serving as type 5 phosphodiesterase inhibitor and application thereof 浙大宁波理工学院 2023-09-15 — — CN disclosed
CN-114163493-B Polypeptide capable of serving as type 5 phosphodiesterase inhibitor and application thereof 浙大宁波理工学院 2023-09-15 — — CN disclosed
CN-114163493-A Polypeptide capable of being used as phosphodiesterase type 5 inhibitor and application thereof 浙大宁波理工学院 2022-03-11 — — CN disclosed
CN-114163493-A Polypeptide capable of being used as phosphodiesterase type 5 inhibitor and application thereof 浙大宁波理工学院 2022-03-11 — — CN disclosed
Send feedback