SCHEMBL8984626

SCHEMBL8984626

Cc1cccc(N2CCN(C(N)=O)C(C(C(=O)O)[C@H](N)C(=O)O)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
ACACB O00763 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AGTR2 P50052 1/20 0.37
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL3447709 0.88 HTR1A (0.50) NOTUMALDH1A1MAPTRAB9AMEN1
SCHEMBL8984615 0.87 SLC6A9 (0.46) NPC1ALDH1A1MAPTFFAR4MEN1
SCHEMBL8192461 0.86 AGTR2 (0.37) NPC1ALDH1A1MAPTRAB9AMEN1
SCHEMBL8596199 0.84 NOTUM (0.51) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL8498201 0.82 AGTR2 (0.43) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL8984766 0.80 ALDH1A1 (0.43) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL8984815 0.80 AR (0.39) NPC1ALDH1A1MAPTRAB9A
SCHEMBL8592475 0.80 NOTUM (0.44) NOTUMNPC1ALDH1A1MAPTRAB9A
SCHEMBL8592708 0.80 NOTUM (0.44) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL8594519 0.79 KMT2A (0.43) ALDH1A1MAPTMEN1GAAKMT2A

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