SCHEMBL28066919

SCHEMBL28066919

CN1CCCCC1C(=O)ONOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.51
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
LTA4H P09960 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNA5 P30532 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40

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
SCHEMBL21271418 1.00 FKBP1A (0.51) FKBP1APOLBMEN1KMT2ASIGMAR1
SCHEMBL22608614 0.86 POLB (0.49) FKBP1APOLBMEN1KMT2ALTA4H
SCHEMBL22608307 0.86 POLB (0.49) FKBP1APOLBMEN1KMT2ALTA4H
SCHEMBL21271429 0.84 POLB (0.53) FKBP1APOLBMEN1KMT2A
SCHEMBL24710613 0.82 FKBP1A (0.65) FKBP1APOLBMEN1KMT2ASIGMAR1
SCHEMBL13099455 0.79 FKBP1A (0.60) FKBP1APOLBCHRNB2CHRNA7CHRNA4
SCHEMBL12869918 0.79 FKBP1A (0.60) FKBP1APOLBCHRNB2CHRNA7CHRNA4
SCHEMBL26291061 0.79 FKBP1A (0.60) FKBP1APOLBCHRNB2CHRNA7CHRNA4
SCHEMBL30612528 0.76 FKBP1A (0.60) FKBP1APOLBSIGMAR1CHRNB2CHRNA7
SCHEMBL22608398 0.75 FKBP1A (0.48) FKBP1APOLBMEN1KMT2ASIGMAR1

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
CN-105612159-A Crystal of diazabicyclooctane derivative and process for producing the same MEIJI SEIKA PHARMA CO LTD 2016-05-25 CN disclosed