SCHEMBL8984615

SCHEMBL8984615

COc1cccc(N2CCN(C(N)=O)C(C(C(=O)O)[C@H](N)C(=O)O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.46
FAAH O00519 4/20 0.45
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 2/20 0.41
MEN1 O00255 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKG1 Q13976 1/20 0.40
HTR1A P08908 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 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
SCHEMBL8594519 0.88 KMT2A (0.43) FAAHKMT2AGFERMEN1HTR1A
SCHEMBL8984626 0.87 NOTUM (0.48) KMT2AMEN1FFAR4MAPTALDH1A1
SCHEMBL3447709 0.86 HTR1A (0.50) SLC6A9KMT2AMEN1HTR1AMAPT
SCHEMBL8596199 0.82 NOTUM (0.51) SLC6A9KMT2AMEN1MAPTALDH1A1
SCHEMBL8192461 0.80 AGTR2 (0.37) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7614462 0.80 DRD2 (0.44) KMT2AMEN1HTR1AALDH1A1
SCHEMBL8498201 0.80 AGTR2 (0.43) SLC6A9FAAHKMT2AMEN1MAPT
SCHEMBL8592475 0.78 NOTUM (0.44) KMT2AGFERMEN1MAPTALDH1A1
SCHEMBL8592708 0.78 NOTUM (0.44) SLC6A9KMT2AMEN1MAPTALDH1A1
SCHEMBL8984766 0.77 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed