SCHEMBL28624947

SCHEMBL28624947

O=C(CCl)N[C@@H](Cc1cnc[nH]1)C(=O)N1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.43
▸ ITGB2 P05107 4/20 0.42
▸ ICAM1 P05362 4/20 0.42
▸ ITGAL P20701 4/20 0.42
▸ CYP51A1 Q16850 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ PPM1B O75688 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39

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
SCHEMBL28171998 0.80 ITGB2 (0.58) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL29002721 0.77 HTR1D (0.48) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL15080457 0.67 REN (0.54) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL30081493 0.67 SLC15A2 (0.72) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL6425165 0.67 ITGB2 (0.58) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL4182511 0.67 SLC6A5 (0.64) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL2197786 0.67 SLC15A2 (0.72) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL11487904 0.67 ITGB2 (0.58) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL19771381 0.67 HIF1A (0.64) ITGB2ICAM1ITGALEPHX2SLC15A2
SCHEMBL3378643 0.67 CYP3A4 (0.61) ITGB2ICAM1ITGALEPHX2SLC15A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150066-B Synthetic method of blue copper peptide 山东济肽生物科技有限公司 2022-04-08 — — CN disclosed
CN-113150066-A Synthetic method of blue copper peptide 山东济肽生物科技有限公司 2021-07-23 — — CN disclosed
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