SCHEMBL8890631

SCHEMBL8890631

NCC1CCC(CNC=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.61
ADH1C P00326 3/20 0.61
ADH1A P07327 3/20 0.61
ADH7 P40394 3/20 0.61
ADH4 P08319 1/20 0.61
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
NCF1 P14598 1/20 0.33
F10 P00742 1/20 0.30
PRSS1 P07477 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
SCHEMBL207500 0.88
SCHEMBL1751053 0.82 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL4720866 0.81 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL1608989 0.80
SCHEMBL304641 0.78
SCHEMBL19780933 0.78 CYP2D6 (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL23697411 0.77 ADH1B (0.75) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8901149 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL12967867 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL26876586 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed