SCHEMBL14819922

SCHEMBL14819922

NC(=O)C(=O)C1CN(Cc2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.54
CACNA1I Q9P0X4 13/20 0.48
CACNA1G O43497 12/20 0.48
CACNA1H O95180 12/20 0.48
BRD4 O60885 3/20 0.48
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43

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
SCHEMBL13632458 0.78 DRD2 (0.49) SIRT1CACNA1ICACNA1GCACNA1HBRD4
SCHEMBL30009942 0.74 BRD4 (0.53) CACNA1ICACNA1GCACNA1HBRD4
SCHEMBL14293859 0.71 CACNA1G (0.56) SIRT1CACNA1ICACNA1GCACNA1H
SCHEMBL16758556 0.70 SIRT1 (1.00) SIRT1
SCHEMBL30099079 0.70 NOTUM (0.41) SIRT1CACNA1ICACNA1GCACNA1HBRD4
SCHEMBL14051402 0.70 TUBB4A (0.47) SIRT1CACNA1ICACNA1GCACNA1H
SCHEMBL15083046 0.69 BRD4 (0.51) SIRT1CACNA1ICACNA1GCACNA1HBRD4
SCHEMBL28162634 0.69 SIRT2 (0.55) SIRT1CACNA1ICACNA1GCACNA1H
SCHEMBL10341454 0.68 KMT2A (0.49) SIRT1BRD4
SCHEMBL27977470 0.68 CACNA1G (0.46) SIRT1CACNA1ICACNA1GCACNA1HBRD4

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-2572730-A1 METHOD FOR PREVENTION OR TREATMENT OF METABOLIC SYNDROME Miyazaki, Toru (JP) 2013-03-27 EP disclosed