SCHEMBL6065815

SCHEMBL6065815

Cn1ncc(NC(=O)[C@@H](O)CCOC(N)=O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.33
NTRK1 P04629 3/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL6425021 0.90 CYP1A2 (0.34) LPAR1NTRK1LMNA
SCHEMBL6065063 0.88 MEN1 (0.30)
SCHEMBL27639665 0.88 LPAR1 (0.33) LPAR1NTRK1
SCHEMBL28755600 0.84 NTRK1 (0.39) LPAR1NTRK1LMNA
SCHEMBL3123213 0.83 NTRK1 (0.35) LPAR1NTRK1LMNA
SCHEMBL6427254 0.82 LPAR1 (0.33) LPAR1NTRK1
SCHEMBL6386231 0.82 CYP3A4 (0.36) LMNA
SCHEMBL5498848 0.81 NTRK1 (0.36) LPAR1NTRK1
SCHEMBL6427256 0.80 BCHE (0.35) LPAR1
SCHEMBL6065837 0.80 LPAR1 (0.37) LPAR1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed