SCHEMBL7795529

SCHEMBL7795529

CCC(=O)N[C@@H]1CCc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.46
RIPK1 Q13546 8/20 0.42
PYGL P06737 2/20 0.41
PYGM P11217 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KIF11 P52732 1/20 0.39
CRBN Q96SW2 1/20 0.38

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
SCHEMBL7791600 0.83 CRBN (0.49) RIPK1PYGLPYGMCRBN
SCHEMBL7791794 0.82 RIPK1 (0.46) RIPK1PYGLPYGMCRBN
SCHEMBL8667968 0.82 CA12 (0.48) KMT2AMEN1ALDH1A1
SCHEMBL7792280 0.79 PYGL (0.58) RIPK1PYGLPYGM
SCHEMBL13007537 0.76 SIRT2 (0.45) SIRT2PYGLPYGMKMT2AMEN1
SCHEMBL7794597 0.75 RIPK1 (0.40) SIRT2RIPK1PYGLPYGM
SCHEMBL7794448 0.74 SIRT2 (0.53) SIRT2KMT2AMEN1ALDH1A1KIF11
SCHEMBL7794446 0.74 SIRT2 (0.53) SIRT2KMT2AMEN1ALDH1A1KIF11
SCHEMBL4107609 0.74 MTNR1A (0.62)
SCHEMBL4107613 0.74 MTNR1A (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed