SCHEMBL31265398

SCHEMBL31265398

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.48
▸ C5AR1 P21730 2/20 0.42
▸ CTSL P07711 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ FURIN P09958 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ CALCRL Q16602 2/20 0.37
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 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
SCHEMBL31265383 0.97 SLC15A2 (0.46) SLC15A2C5AR1CTSLSLC6A5ECE1
SCHEMBL31265386 0.96 SLC15A2 (0.45) SLC15A2C5AR1CTSLHRH1APLNR
SCHEMBL31265395 0.94 SLC15A2 (0.48) SLC15A2C5AR1SLC6A5ECE1F2
SCHEMBL30353033 0.93 SLC15A2 (0.55) SLC15A2C5AR1CTSLECE1FURIN
SCHEMBL29557424 0.93 SLC15A2 (0.43) SLC15A2C5AR1F2
SCHEMBL29802232 0.92 SLC15A2 (0.55) SLC15A2SLC6A5ECE1F2CALCRL
SCHEMBL31265393 0.90 SLC15A2 (0.45) SLC15A2C5AR1F2
SCHEMBL29871668 0.89 GLP1R (0.39) SLC15A2
SCHEMBL31265389 0.88 SLC15A2 (0.51) SLC15A2SLC6A5ECE1F2CALCRL
SCHEMBL30441425 0.88 SLC15A2 (0.43) SLC15A2C5AR1FNTAFNTB

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-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
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