SCHEMBL6892275

SCHEMBL6892275

Cn1c(=O)n(CC2CC2(F)F)c2ccc(N3CCCc4ccccc43)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.69
CREBBP Q92793 1/20 0.42
ROCK1 Q13464 1/20 0.40
PARG Q86W56 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NUDT1 P36639 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 4/20 0.36
USP2 O75604 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6890740 0.82 GRM2 (1.00) GRM2CREBBP
SCHEMBL1503122 0.81 ALDH1A1 (0.46) GRM2PARGALDH1A1MAPTTSHR
SCHEMBL1503038 0.80 GRM2 (0.61) GRM2PARGKMT2AMAPTNPSR1
SCHEMBL1502974 0.79 GRM2 (0.64) GRM2PARGALDH1A1MAPTNPSR1
SCHEMBL1502926 0.79 GRM2 (0.64) GRM2PARGALDH1A1MAPTNPSR1
SCHEMBL1502968 0.79 GRM2 (0.64) GRM2PARGALDH1A1MAPTNPSR1
SCHEMBL1503034 0.78 GRM2 (0.46) GRM2PARG
SCHEMBL6891162 0.75 GRM2 (0.50) GRM2PARGMEN1KMT2AALDH1A1
SCHEMBL6891306 0.75 GRM2 (0.52) GRM2PARGKMT2AALDH1A1TSHR
SCHEMBL6892255 0.75 GRM2 (0.52) GRM2PARGKMT2AALDH1A1TSHR

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-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed