SCHEMBL8901149

SCHEMBL8901149

O=CNCC1CCC(CO)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.61
ADH1C P00326 2/20 0.61
ADH1A P07327 2/20 0.61
ADH7 P40394 2/20 0.61
ADH4 P08319 1/20 0.61
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SAT1 P21673 1/20 0.33
ESR1 P03372 6/20 0.32
ESR2 Q92731 6/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 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
SCHEMBL26876586 0.82 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL1608989 0.80
SCHEMBL8901848 0.78 ADH1B (0.38) ADH1BADH1CADH1AADH7ADH4
SCHEMBL304641 0.78
SCHEMBL23697411 0.77 ADH1B (0.75) ADH1BADH1CADH1AADH7ADH4
SCHEMBL1751053 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL12967867 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8890631 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3030276 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