SCHEMBL8596199

SCHEMBL8596199

NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1C(C(=O)O)[C@H](N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
SLC6A9 P48067 2/20 0.46
POLB P06746 4/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA1D P25100 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
SCHEMBL3447709 0.85 HTR1A (0.50) NOTUMSLC6A9LMNATSHRALDH1A1
SCHEMBL8984626 0.84 NOTUM (0.48) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL8984615 0.82 SLC6A9 (0.46) SLC6A9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8592475 0.79 NOTUM (0.44) NOTUMPOLBLMNAHTTTSHR
SCHEMBL8498201 0.79 AGTR2 (0.43) NOTUMSLC6A9LMNATSHRALDH1A1
SCHEMBL8192461 0.77 AGTR2 (0.37) POLBLMNATSHRALDH1A1MEN1
SCHEMBL8592708 0.77 NOTUM (0.44) NOTUMSLC6A9LMNAHTTALDH1A1
SCHEMBL8592788 0.75 NOTUM (0.46) NOTUMLMNAHTTTSHRALDH1A1
SCHEMBL8594519 0.74 KMT2A (0.43) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL8596204 0.74 LMNA (0.51) NOTUMPOLBLMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed
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