SCHEMBL29954917

SCHEMBL29954917

O=C(O)C1CCN(c2ccccc2C(F)(F)F)C1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 0.78
TTR P02766 1/20 0.49
HSD11B1 P28845 1/20 0.48

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
SCHEMBL29957567 0.92 NOTUM (0.67) NOTUMTTR
SCHEMBL29954991 0.91 NOTUM (0.65) NOTUMTTR
SCHEMBL5799674 0.91 NOTUM (0.65) NOTUMTTR
SCHEMBL14125452 0.81 NOTUM (1.00) NOTUM
SCHEMBL2934956 0.80 NOTUM (0.65) NOTUM
SCHEMBL22807134 0.79 RBP4 (0.53) NOTUMTTR
SCHEMBL1410314 0.79 NOTUM (0.50) NOTUMTTRHSD11B1
SCHEMBL3436352 0.78 NOTUM (0.72) NOTUM
SCHEMBL1704630 0.78 NOTUM (0.72) NOTUM
SCHEMBL19527509 0.78 NOTUM (0.49) NOTUMTTR

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