SCHEMBL7817475

SCHEMBL7817475

CCCN1CC(C(=O)OCC)Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 14/20 0.50
SIRT2 Q8IXJ6 8/20 0.50
POLB P06746 1/20 0.50
NISCH Q9Y2I1 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL7820037 0.85 POLB (0.53) SIRT1SIRT2POLBALDH1A1KMT2A
SCHEMBL11567520 0.85 SIRT1 (0.69) SIRT1SIRT2POLB
SCHEMBL7829862 0.84 SIRT1 (0.49) SIRT1SIRT2POLBALDH1A1KMT2A
SCHEMBL10854878 0.83 ALDH1A1 (0.56) SIRT1SIRT2POLBNISCHALDH1A1
SCHEMBL10855360 0.83 ALDH1A1 (0.52) SIRT1SIRT2POLBALDH1A1KMT2A
SCHEMBL7819461 0.82 SIRT1 (0.47) SIRT1SIRT2POLBALDH1A1KMT2A
SCHEMBL12610719 0.81 SIRT1 (0.58) SIRT1SIRT2POLBKMT2A
SCHEMBL6973740 0.81 POLB (0.54) POLBALDH1A1KMT2AMEN1
SCHEMBL11567525 0.79 SIRT1 (0.47) SIRT1SIRT2POLB
SCHEMBL16758497 0.78 SIRT1 (0.52) SIRT1SIRT2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894796-B1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR (FR) 2001-06-06 EP disclosed
US-6057317-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 2000-05-02 US disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed