SCHEMBL28904129

SCHEMBL28904129

O=C1CCCCCN1C1CCCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
LTA4H P09960 1/20 0.36
HSD11B1 P28845 2/20 0.35
PIK3CD O00329 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
JAK2 O60674 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
LIPE Q05469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CREBBP Q92793 1/20 0.33
NPY5R Q15761 1/20 0.33
BACE1 P56817 1/20 0.32
F10 P00742 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4517094 0.88 JAK2 (0.40) DPP4DPP8DPP9LTA4HHSD11B1
SCHEMBL33526075 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL10427141 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL10633018 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL1954285 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL6088399 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL868782 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL867932 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL8031217 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3
SCHEMBL4941511 0.84 NOS3 (0.42) DPP4DPP8DPP9LTA4HNOS3

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-110099869-B Thermally responsive solution and method of use thereof 阿克福特斯技术有限公司 2022-12-06 CN disclosed