SCHEMBL6229483

SCHEMBL6229483

NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ GHSR Q92847 5/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ IDE P14735 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RIN1 Q13671 1/20 0.40

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
SCHEMBL5328803 0.82 NPY1R (0.40) SLC6A4TDP1GHSR
SCHEMBL5806608 0.75 SLC6A4 (0.54) SLC6A4TDP1CA12CA1CA2
SCHEMBL9787678 0.74 CAPN1 (0.47) SLC6A4TDP1
SCHEMBL17468007 0.73 SLC6A4 (0.51) SLC6A4TDP1CA12CA1CA2
SCHEMBL29603261 0.73 KDM4E (0.59) GHSRMEN1LMNAKMT2AUTS2R
SCHEMBL16562307 0.73 GHSR (0.51) GHSR
SCHEMBL16562326 0.73 GHSR (0.51) GHSR
SCHEMBL26073693 0.73 SLC6A4 (0.53) SLC6A4TDP1CA12CA1CA2
SCHEMBL30921655 0.72 GHSR (0.60) GHSRMEN1LMNAKMT2AUTS2R
SCHEMBL31468788 0.72 GHSR (0.61) GHSRMEN1LMNAKMT2AUTS2R

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
EP-0971747-B1 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2005-12-28 — — EP disclosed
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