SCHEMBL7594443

SCHEMBL7594443

NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ TPSAB1 Q15661 1/20 0.49
▸ CTSL P07711 8/20 0.46
▸ ITGB3 P05106 4/20 0.46
▸ ITGA2B P08514 4/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ CTSB P07858 6/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.44
▸ SIRT1 Q96EB6 2/20 0.44
▸ SIRT3 Q9NTG7 2/20 0.44
▸ GSTP1 P09211 1/20 0.44
▸ GSTM2 P28161 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ CTSS P25774 1/20 0.44

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
SCHEMBL9158591 0.97 ITGB3 (0.48) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL11066257 0.86 CTSL (0.55) CTSLCTSBCTSS
SCHEMBL11546767 0.84 L3MBTL1 (0.41) SIRT2SIRT1SIRT3DPP4
SCHEMBL29087638 0.83 PRSS1 (0.54) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL9752532 0.82 CTSL (0.52) CTSLCTSBCTSS
SCHEMBL1841203 0.81 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL10723335 0.81 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL1841202 0.81 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL16494584 0.81 HDAC1 (0.55) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL648254 0.81 HDAC1 (0.55) PRSS1PRSS2PRSS3TPSAB1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 — — EP disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 — — EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 — — WO disclosed
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