SCHEMBL29957567

SCHEMBL29957567

O=C(O)C1CCCN(c2ccccc2C(F)(F)F)C1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.67
SERPINE1 P05121 2/20 0.51
SLC6A1 P30531 4/20 0.50
IDH2 P48735 1/20 0.47
TTR P02766 1/20 0.47

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
SCHEMBL29954917 0.92 NOTUM (0.78) NOTUMTTR
SCHEMBL29954991 0.83 NOTUM (0.65) NOTUMSERPINE1TTR
SCHEMBL5799674 0.83 NOTUM (0.65) NOTUMSERPINE1TTR
SCHEMBL27665161 0.82 ALDH1A1 (0.53) NOTUM
SCHEMBL613069 0.82 ALDH1A1 (0.53) NOTUM
SCHEMBL3436333 0.79 NOTUM (0.60) NOTUMSLC6A1
SCHEMBL7444262 0.79 NOTUM (0.60) NOTUMSLC6A1
SCHEMBL2558871 0.77 NPC1 (0.61) NOTUMSLC6A1
SCHEMBL29950827 0.77 NOTUM (0.57) NOTUMSLC6A1
SCHEMBL15330773 0.77 NOTUM (0.57) NOTUMSLC6A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed