SCHEMBL9644261

SCHEMBL9644261

N=C(N)NCCC[C@H](N)C(=O)Oc1cccccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPY4R P50391 6/20 0.38
▸ NPY1R P25929 4/20 0.38
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ ANPEP P15144 2/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ ARF6 P62330 2/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ RNPEP Q9H4A4 1/20 0.33
▸ DNPEP Q9ULA0 1/20 0.33
▸ PRSS1 P07477 1/20 0.33

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
SCHEMBL7780233 0.85 NPY4R (0.40) NPY4RNPY1RDPP8DPP7NPY2R
SCHEMBL7780232 0.85 NPY4R (0.40) NPY4RNPY1RDPP8DPP7NPY2R
SCHEMBL9643351 0.80 GSR (0.46) MAPTKMT2ASMN1; SMN2DPP8DPP7
Lactic Acid SCHEMBL20702219 0.79 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RANPEP
SCHEMBL3362561 0.79 DPP8 (0.50) KMT2ASMN1; SMN2NPY4RNPY1RDPP8
SCHEMBL7758995 0.79 DPP8 (0.50) KMT2ASMN1; SMN2NPY4RNPY1RDPP8
SCHEMBL22133069 0.79 DPP8 (0.50) KMT2ASMN1; SMN2NPY4RNPY1RDPP8
SCHEMBL2246952 0.78 NPY4R (0.39) MAPTKMT2ANPY4RNPY1RDPP8
Hydrochloric Acid SCHEMBL27766761 0.78 DPP8 (0.49) KMT2ASMN1; SMN2NPY4RNPY1RDPP8
Hydrochloric Acid SCHEMBL27766760 0.78 DPP8 (0.49) KMT2ASMN1; SMN2NPY4RNPY1RDPP8

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-0267378-B1 TROPOLONE DERIVATIVES AS AN ANTI-MYCOPLASMA AGENT SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-11-04 — — EP disclosed
US-4950686-A Anti-mycoplasma agent SHIONOGI & CO., LTD. (JP) 1990-08-21 — — US disclosed
EP-0267378-A2 Tropolone derivatives as an anti-mycoplasma agent SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-18 — — EP disclosed
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