SCHEMBL3855668

SCHEMBL3855668

CCC(O)Nc1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.35
GPR119 Q8TDV5 3/20 0.34
PARP1 P09874 1/20 0.33
NR1H3 Q13133 3/20 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
SCHEMBL3835555 0.93 GPR119 (0.36) NR1H2GPR119PARP1NR1H3
SCHEMBL3835403 0.90 GPR119 (0.34) NR1H2GPR119PARP1NR1H3
SCHEMBL3835557 0.89 GPR119 (0.40) NR1H2GPR119PARP1NR1H3
SCHEMBL3835025 0.87 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3835632 0.87 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3859943 0.86 NR1H2 (0.35) NR1H2PARP1NR1H3
SCHEMBL3835267 0.86 NR1H2 (0.37) NR1H2GPR119PARP1NR1H3
SCHEMBL3836044 0.85 NR1H2 (0.35) NR1H2GPR119PARP1NR1H3
SCHEMBL3840899 0.85 PARP1 (0.36) NR1H2GPR119PARP1NR1H3
SCHEMBL3840010 0.85 NR1H2 (0.35) NR1H2GPR119PARP1NR1H3

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