SCHEMBL21077807

SCHEMBL21077807

CC(C)(C)CC(=O)N1CC=C(I)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.44
GRM5 P41594 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NAMPT P43490 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
FAAH O00519 1/20 0.33
WDR5 P61964 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CNR1 P21554 1/20 0.32
CYP3A4 P08684 2/20 0.31
ACKR3 P25106 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNQ2 O43526 1/20 0.30
ME2 P23368 1/20 0.30
ME1 P48163 1/20 0.30

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
SCHEMBL21077861 0.89 NAMPT (0.43) GRM1GRM5MEN1KMT2ANAMPT
SCHEMBL21077864 0.84 JAK1 (0.40) GRM1MEN1KMT2ANAMPTJAK2
SCHEMBL17886565 0.82 GRM1 (0.45) GRM1GRM5MEN1KMT2ANAMPT
SCHEMBL17888233 0.82 GRM1 (0.45) GRM1GRM5MEN1KMT2ANAMPT
SCHEMBL21252975 0.79 GRM1 (0.43) GRM1GRM5MEN1KMT2ANAMPT
SCHEMBL21077998 0.79 NAMPT (0.45) GRM5MEN1KMT2ANAMPTCYP1A2
SCHEMBL21077810 0.78 MEN1 (0.45) MEN1KMT2ANAMPTJAK1CNR1
SCHEMBL21077993 0.77 POLB (0.42) MEN1KMT2ANAMPTCNR1
SCHEMBL21077996 0.76 L3MBTL1 (0.45) MEN1KMT2ANAMPT
SCHEMBL18611164 0.75 QDPR (0.47) KMT2ANAMPTCYP1A2

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed