SCHEMBL29619703

SCHEMBL29619703

O=C(NO)N1CC2(CCCO2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
VNN1 O95497 3/20 0.34
CNR2 P34972 1/20 0.32
EPHX2 P34913 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
SCHEMBL29975368 0.79 NAMPT (0.41) NAMPTHDAC1HDAC2VNN1CNR2
SCHEMBL25075681 0.79 NAMPT (0.41) NAMPTHDAC1HDAC2VNN1CNR2
SCHEMBL29626816 0.77 NAMPT (0.40) NAMPTHDAC1HDAC2VNN1CNR2
SCHEMBL25629294 0.73 NAMPT (0.38) NAMPTHDAC1HDAC2VNN1CNR2
SCHEMBL15750499 0.70 CYP3A4 (0.40) NAMPTHDAC1HDAC2VNN1
SCHEMBL31548277 0.70 CNR2 (0.37) NAMPTVNN1CNR2EPHX2
SCHEMBL23933127 0.70 NAMPT (0.36) NAMPTHDAC1HDAC2CNR2
SCHEMBL2960736 0.69 USP2 (0.47) NAMPTEPHX2
SCHEMBL15750497 0.69 NAMPT (0.35) NAMPTHDAC1HDAC2VNN1CNR2
SCHEMBL12735554 0.68 POLB (0.50) NAMPTVNN1EPHX2

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-114555606-A 5-oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed