SCHEMBL2778693

SCHEMBL2778693

CN(CCCC1CCc2cc(N)ccc2N1)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.41
MTNR1A P48039 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL2777417 0.94 ACHE (0.41) ACHEMTNR1AFFAR4
SCHEMBL2776739 0.87 ACHE (0.44) ACHE
SCHEMBL2776745 0.85 ALDH1A1 (0.41) ACHE
SCHEMBL2776959 0.79 ALDH1A1 (0.42) ACHEFFAR4
SCHEMBL2776821 0.79 ACHE (0.36) ACHE
SCHEMBL2776619 0.78 ACHE (0.39) ACHE
SCHEMBL2777095 0.77 MTNR1A (0.34) MTNR1AFFAR4
SCHEMBL2778160 0.73 ACHE (0.35) ACHE
SCHEMBL2776698 0.72 MTNR1A (0.35) MTNR1AFFAR4
SCHEMBL2780371 0.71 MTNR1A (0.38) ACHEMTNR1AFFAR4

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-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed