SCHEMBL27003454

SCHEMBL27003454

COc1ccc(CN[C@@H]2CCCN(C(=O)O)C2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.56
DPP7 Q9UHL4 1/20 0.52
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.50
TACR1 P25103 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL4733035 0.86 KMT2A (0.54) KMT2AMEN1DPP7TSHRSMN1; SMN2
SCHEMBL29860851 0.81 F2 (0.49) KMT2AMEN1DPP7TSHRSMN1; SMN2
SCHEMBL27415157 0.80 ALDH1A1 (0.54) KMT2AMEN1DPP7TSHRMAPK1
SCHEMBL28611807 0.80 ALDH1A1 (0.54) KMT2AMEN1DPP7TSHRMAPK1
SCHEMBL31114359 0.80 TSHR (0.67) KMT2AMEN1TSHRSMN1; SMN2GAA
SCHEMBL3919386 0.80 TSHR (0.71) KMT2AMEN1TSHRSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL11688129 0.77 TSHR (0.67) KMT2AMEN1TSHRSMN1; SMN2GAA
SCHEMBL29114695 0.77 TSHR (0.66) KMT2AMEN1TSHRSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL31580079 0.76 TSHR (0.64) KMT2AMEN1TSHRSMN1; SMN2GAA
SCHEMBL4732973 0.75 EPHX2 (0.61) KMT2AMEN1TSHRSMN1; SMN2KDM4E

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
EP-4304586-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION Jnana Therapeutics Inc. (US) 2024-01-17 EP disclosed