SCHEMBL29378009

SCHEMBL29378009

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 8/20 0.58
▸ MME P08473 4/20 0.53
▸ ACE P12821 3/20 0.53
▸ CPA1 P15085 3/20 0.53
▸ ACE2 Q9BYF1 3/20 0.53
▸ REN P00797 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47

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
SCHEMBL29437876 0.98 ACE (0.55) CTSDMMEACECPA1ACE2
SCHEMBL29608723 0.93 CTSD (0.51) CTSDMMEACECPA1ACE2
SCHEMBL29350276 0.91 ACE (0.57) CTSDMMEACECPA1ACE2
SCHEMBL30052882 0.90 CTSD (0.58) CTSDMMEACECPA1ACE2
SCHEMBL30198566 0.90 BACE1 (0.51) CTSD
SCHEMBL30056652 0.88 MME (0.60) CTSDMMEACECPA1ACE2
SCHEMBL29876711 0.87 ACE (0.58) CTSDMMEACECPA1ACE2
SCHEMBL10617903 0.87 ACE (0.59) CTSDMMEACECPA1ACE2
SCHEMBL10617891 0.87 ACE (0.59) CTSDMMEACECPA1ACE2
SCHEMBL30051904 0.86 MME (0.57) CTSDMMEACECPA1ACE2

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-114010788-A Channel modulators 奥克兰联合服务有限公司 2022-02-08 — — CN disclosed
Send feedback