SCHEMBL28883263

SCHEMBL28883263

O=C(OC1CCCCCCCCCPC1)[C@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
DPP4 P27487 6/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DPP8 Q6V1X1 4/20 0.31
DPP9 Q86TI2 4/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
IDO1 P14902 1/20 0.30
EPHX1 P07099 1/20 0.30
PRCP P42785 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
SCHEMBL7775106 0.84 EPHX1 (0.41) NOS2NOS3NOS1DPP4HTR2C
SCHEMBL4336849 0.84 EPHX1 (0.41) NOS2NOS3NOS1DPP4HTR2C
SCHEMBL2637808 0.82 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27795896 0.80 EPHX1 (0.39) NOS2NOS3NOS1EPHX1
SCHEMBL2494402 0.76 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27796013 0.75 NOS2 (0.38) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27795961 0.75 NOS2 (0.38) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27775234 0.72 NOS2 (0.36) NOS2NOS3NOS1DPP4DPP8
SCHEMBL18394515 0.72 NOS2 (0.39) NOS2NOS3NOS1DPP4DPP8
SCHEMBL16586213 0.69 DPP4 (0.35) NOS2NOS3NOS1DPP4HTR2C

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-110799218-A Antibody conjugates comprising STING agonists 诺华股份有限公司 2020-02-14 CN disclosed