SCHEMBL25918545

SCHEMBL25918545

C[C@@H]1CN(C(=O)C(N)=O)[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.33
NR1I2 O75469 1/20 0.33
SLC6A9 P48067 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC9A1 P19634 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
TACR3 P29371 2/20 0.32
NR3C2 P08235 1/20 0.31
GRM1 Q13255 1/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL25325413 0.88 RIPK1 (0.36)
SCHEMBL25326693 0.88 RIPK1 (0.36)
SCHEMBL25328898 0.87 SMN1; SMN2 (0.34) SLC6A9SMN1; SMN2TACR3GRM1CACNA1H
SCHEMBL25324316 0.85 RORC (0.35) RORCNR1I2SLC6A9SLC9A1TACR3
SCHEMBL25327620 0.84 SLC9A1 (0.35) SLC6A9SMN1; SMN2SLC9A1NR3C2CACNA1H
SCHEMBL25325663 0.81 RIPK1 (0.39) SMN1; SMN2SLC9A1
SCHEMBL25326815 0.81 RORC (0.41) RORC
SCHEMBL25327901 0.81 RORC (0.41) RORC
SCHEMBL25326809 0.81 RORC (0.41) RORC
SCHEMBL25327905 0.81 RORC (0.41) RORC

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
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed