SCHEMBL1505905

SCHEMBL1505905

CC(C)(C)N1CCN(c2ncc(OCc3ccc([S+]([O-])CCN4CCOCC4)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.42
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KIT P10721 5/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL1505822 0.81 KDM4E (0.42) GPR119HTTKMT2AKIT
SCHEMBL1505784 0.79 GPR119 (0.46) GPR119KITMMP13KCNH2
SCHEMBL1505743 0.73 GPR119 (0.70) GPR119MMP13KCNH2
SCHEMBL1505737 0.73 GPR119 (0.50) GPR119KITMMP13
SCHEMBL1505850 0.72 GPR119 (0.58) GPR119MMP13KCNH2
SCHEMBL1505872 0.71 GPR119 (0.46) GPR119KITMMP13
SCHEMBL1505653 0.70 PTPRZ1 (0.52) GPR119KITMMP13KCNH2
SCHEMBL28927093 0.68 CYP11B2 (0.62) HTTKMT2AKITEGFRCYP11B2
SCHEMBL11478085 0.68 ATM (0.47) KMT2AKCNH2
SCHEMBL14538163 0.68 POLB (0.47) —

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-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 — — WO disclosed
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