SCHEMBL29952767

SCHEMBL29952767

N#Cc1ccccc1N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.57
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A1 P30531 2/20 0.45
GRM1 Q13255 1/20 0.45
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL29950827 1.00 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL15330773 1.00 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL2558052 0.92 NOTUM (0.68) NOTUMKDM4EGRM1DRD2DRD4
SCHEMBL3598593 0.86 AR (0.60) NOTUM
SCHEMBL4871562 0.86 AR (0.60) NOTUM
SCHEMBL3607778 0.86 AR (0.60) NOTUM
SCHEMBL2557970 0.83 FFAR4 (0.53) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL2557467 0.83 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL29955392 0.83 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL29956622 0.83 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A

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