SCHEMBL1505737

SCHEMBL1505737

CSc1ccc(COc2cnc(N3CCN(C(C)(C)C)CC3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.50
▸ KIT P10721 5/20 0.43
▸ MMP13 P45452 2/20 0.39
▸ PRKDC P78527 1/20 0.38

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
SCHEMBL1505653 0.87 PTPRZ1 (0.52) GPR119KITMMP13
SCHEMBL1448113 0.81 GPR119 (0.76) GPR119
SCHEMBL1505743 0.81 GPR119 (0.70) GPR119MMP13
SCHEMBL1505822 0.81 KDM4E (0.42) GPR119KIT
SCHEMBL1505850 0.80 GPR119 (0.58) GPR119MMP13
SCHEMBL1505872 0.79 GPR119 (0.46) GPR119KITMMP13
SCHEMBL24945648 0.78 HTR3A (0.34) KIT
SCHEMBL1505784 0.78 GPR119 (0.46) GPR119KITMMP13
SCHEMBL1505905 0.73 GPR119 (0.42) GPR119KITMMP13
SCHEMBL30374056 0.71 KIT (0.56) KIT

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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