SCHEMBL10885146

SCHEMBL10885146

O=C(OC(=O)[C@@H]1CCCCN1)[C@@H]1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
DPP4 P27487 6/20 0.38
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
FDPS P14324 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ELANE P08246 1/20 0.36
PRCP P42785 1/20 0.35
SCN4A P35499 1/20 0.33
GLI1 P08151 1/20 0.33

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
SCHEMBL9737609 0.98 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL995604 0.93 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL146828 0.93 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL6859669 0.93 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28529006 0.88 TSHR (0.36) NOS2NOS3NOS1DPP4DPP8
SCHEMBL30532399 0.88 TSHR (0.36) NOS2NOS3NOS1DPP4DPP8
SCHEMBL31298402 0.87 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28310230 0.86 CYP3A4 (0.35) NOS2NOS3NOS1DPP4DPP8
SCHEMBL10888007 0.85 NOS2 (0.40) NOS2NOS3NOS1DPP4PRCP
SCHEMBL6954632 0.85 TSHR (0.34) NOS2NOS3NOS1DPP4FDPS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565862-A ANTIINFLAMMATORY AGENTS;ANIMAL GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US claimed
US-4565862-A ANTIINFLAMMATORY AGENTS;ANIMAL GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US disclosed