SCHEMBL27041655

SCHEMBL27041655

CCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1F)C(=O)N(C)[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.45
▸ CTSK P43235 1/20 0.38
▸ SLC1A5 Q15758 1/20 0.38
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ MMP12 P39900 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ REN P00797 1/20 0.36
▸ KISS1R Q969F8 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ ANPEP P15144 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL27041659 1.00 KCNA5 (0.45) KCNA5CTSKSLC1A5MMEACE
SCHEMBL30759455 0.91 CTSK (0.42) CTSKSLC1A5MMEACECPA1
SCHEMBL30759432 0.89 KCNA5 (0.40) KCNA5CTSK
SCHEMBL27041529 0.82 PTPN1 (0.40) CTSK
SCHEMBL27041503 0.82 PTPN1 (0.40) CTSK
SCHEMBL27041505 0.81 MMP12 (0.34) CTSKMMP12REN
SCHEMBL27041528 0.81 MMP12 (0.34) CTSKMMP12REN
SCHEMBL30517407 0.81 MME (0.46) MMEACECPA1ACE2REN
SCHEMBL27041653 0.80 LMNA (0.44) SLC1A5LMNAANPEPERAP2ERAP1
SCHEMBL27041657 0.80 LMNA (0.44) SLC1A5LMNAANPEPERAP2ERAP1

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
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
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