SCHEMBL3835873

SCHEMBL3835873

CN(C)Cc1cc2c(c(-c3cc4cc(CN5CCCC(O)C5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
MCHR1 Q99705 1/20 0.34
ROCK2 O75116 1/20 0.34
NR1H2 P55055 6/20 0.33
PDGFRB P09619 3/20 0.33
KDR P35968 3/20 0.33
PARP1 P09874 1/20 0.33
LTA4H P09960 2/20 0.32
GRM2 Q14416 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL3837075 0.92 GPR119 (0.35) GPR119MCHR1NR1H2KDRPARP1
SCHEMBL3835247 0.92 PARP1 (0.37) GPR119NR1H2PARP1NR1H3
SCHEMBL3839027 0.91 PARP1 (0.37) GPR119MCHR1NR1H2PARP1NR1H3
SCHEMBL3840818 0.87 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3837004 0.87 ATR (0.38) GPR119NR1H2PARP1NR1H3
SCHEMBL3834991 0.85 HRH3 (0.39) GPR119MCHR1NR1H2PARP1NR1H3
SCHEMBL3840823 0.85 NR1H2 (0.33) GPR119NR1H2PARP1NR1H3
SCHEMBL3839726 0.85 PARP1 (0.36) MCHR1NR1H2PARP1NR1H3
SCHEMBL3835632 0.85 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3835025 0.85 PARP1 (0.40) NR1H2PARP1NR1H3

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed