SCHEMBL10524626

SCHEMBL10524626

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ OPRM1 P35372 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ TLR2 O60603 2/20 0.37
▸ GRIA1 P42261 1/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CPA1 P15085 1/20 0.35
▸ CPA2 P48052 1/20 0.35
▸ CPA4 Q9UI42 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35

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
SCHEMBL10524634 1.00 SIRT6 (0.43) SIRT6SIRT1CA1CA2OPRM1
SCHEMBL30595069 0.91 SIRT6 (0.41) SIRT6SIRT1CA1CA2SLC15A2
SCHEMBL26446682 0.89 SLC15A2 (0.48) SIRT6SIRT1CA1CA2SLC15A2
SCHEMBL30493605 0.89 OPRM1 (0.41) CA1CA2OPRM1GRIA1GNPAT
SCHEMBL29396819 0.88 SLC15A2 (0.50) SIRT6SIRT1CA1CA2SLC15A2
SCHEMBL7160634 0.87 MMP2 (0.37) SLC15A2
SCHEMBL7160638 0.87 MMP2 (0.37) SLC15A2
SCHEMBL29397843 0.87 SLC15A2 (0.46) SIRT6SIRT1CA1CA2SLC15A2
SCHEMBL29396585 0.87 SLC15A2 (0.46) SIRT6SIRT1CA1CA2SLC15A2
SCHEMBL10525648 0.84 CD40 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4866121-A B cell differentiating peptides and conjugates thereof ORTHO PHARMACEUTICAL CORPORATION (US) 1989-09-12 — — US disclosed
US-4783442-A B-cell differentiating peptides ORTHO PHARMACEUTICAL CORPORATION (US) 1988-11-08 — — US disclosed
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