SCHEMBL30708891

SCHEMBL30708891

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.57
▸ AGTR2 P50052 3/20 0.56
▸ AGTR1 P30556 1/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ LNPEP Q9UIQ6 5/20 0.54
▸ RAMP3 O60896 1/20 0.53
▸ CALCR P30988 1/20 0.53
▸ FCGRT P55899 2/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ ANPEP P15144 1/20 0.50

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
SCHEMBL30954812 0.80 NPY2R (0.59) RAMP3CALCR
SCHEMBL29966124 0.80 SLC6A2 (0.56) CALCRSLC6A2
SCHEMBL29966573 0.80 SLC6A2 (0.56) CALCRSLC6A2
SCHEMBL29966859 0.80 SLC6A2 (0.56) CALCRSLC6A2
SCHEMBL29695397 0.79 KISS1R (0.56) SLC6A2
SCHEMBL31332003 0.78 REN (0.69) RENAGTR2AGTR1LNPEPANPEP
SCHEMBL29836567 0.77 SLC6A2 (0.60) AGTR2AGTR1SLC6A2
SCHEMBL29796577 0.77 SLC6A2 (0.60) AGTR2AGTR1SLC6A2
SCHEMBL29855998 0.77 DPP3 (0.60) —
SCHEMBL29530548 0.76 SLC6A2 (0.72) SLC6A2

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
US-11858960-B2 Human PD-L1-binding immunoglobulins VRIJE UNIVERSITEIT BRUSSEL (BE) 2024-01-02 — — US disclosed
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