SCHEMBL18332161

SCHEMBL18332161

COC(=O)c1cc2cc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.47
▸ MMP13 P45452 1/20 0.42
▸ STS P08842 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ SCN9A Q15858 2/20 0.39

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
SCHEMBL18332388 0.92 MMP13 (0.43) GPR119MMP13STSEPHX2KMT2A
SCHEMBL10003940 0.89 NOD2 (0.51) GPR119MMP13KMT2ANOD2NOD1
SCHEMBL18332167 0.85 HRH3 (0.47) NOD2NOD1
SCHEMBL18332165 0.84 NOD2 (0.44) NOD2NOD1
SCHEMBL10003359 0.83 GPR119 (0.46) GPR119MMP13
SCHEMBL18332164 0.81 HTR6 (0.48) GPR119NOD2NOD1SCN9A
SCHEMBL10003000 0.81 NOD2 (0.49) GPR119MMP13KMT2ANOD2NOD1
SCHEMBL18331685 0.80 NOD2 (0.44) KMT2ANOD2NOD1
SCHEMBL10003555 0.80 GPR119 (0.42) GPR119MMP13
SCHEMBL10003558 0.80 GPR119 (0.42) GPR119MMP13

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-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO disclosed
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