SCHEMBL31265391

SCHEMBL31265391

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.41
▸ OPRM1 P35372 3/20 0.37
▸ OPRD1 P41143 3/20 0.37
▸ ECE1 P42892 1/20 0.36
▸ SLC15A2 Q16348 1/20 0.35
▸ PSMB5 P28074 5/20 0.34
▸ SDCBP O00560 1/20 0.33
▸ SDC2 P34741 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAGI3 Q5TCQ9 1/20 0.32
▸ CTSD P07339 1/20 0.32

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
SCHEMBL31265384 0.89 SLC15A2 (0.38) MMEECE1SLC15A2MAGI3
SCHEMBL29802038 0.88 LTA4H (0.38) MMEECE1SLC15A2
SCHEMBL31265395 0.88 SLC15A2 (0.48) ECE1SLC15A2
SCHEMBL28382211 0.87 SLC15A2 (0.43) MMESLC15A2
SCHEMBL29871668 0.86 GLP1R (0.39) SLC15A2MAGI3CTSD
SCHEMBL29530913 0.86 MME (0.40) MMEOPRM1OPRD1ECE1MAGI3
SCHEMBL31265383 0.85 SLC15A2 (0.46) ECE1SLC15A2
SCHEMBL31453800 0.85 OPRM1 (0.40) MMEOPRM1OPRD1ECE1
SCHEMBL31265393 0.84 SLC15A2 (0.45) SLC15A2
Carnosine SCHEMBL33769 0.84 ITGB3 (0.41) SLC15A2

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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