SCHEMBL28078045

SCHEMBL28078045

CC(C)(C)OC(=O)N1CCNCC1Cc1ccccc1.CCOC(=O)c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.52
NR1H3 Q13133 2/20 0.52
DPP4 P27487 1/20 0.43
REN P00797 2/20 0.42
GPR119 Q8TDV5 2/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 1/20 0.40
PARP1 P09874 1/20 0.39
P2RX7 Q99572 1/20 0.39
MAPT P10636 1/20 0.39
CHRM4 P08173 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
SCHEMBL674604 0.82 GPR119 (0.56) GPR119TP53POLBALDH1A1MAPT
SCHEMBL23540172 0.81 NR1H2 (0.50) NR1H2NR1H3DPP4RENGPR119
SCHEMBL28078043 0.81 PRMT1 (0.58) GPR119CHRM4
SCHEMBL4309187 0.80 PARP1 (0.54) NR1H2NR1H3DPP4RENCA1
SCHEMBL873429 0.80 PARP1 (0.54) NR1H2NR1H3DPP4RENCA1
SCHEMBL873458 0.80 PARP1 (0.54) NR1H2NR1H3DPP4RENCA1
SCHEMBL7475303 0.76 CA1 (0.56) DPP4RENCA1CA2CA4
SCHEMBL873311 0.76 DPP4 (0.50) NR1H2NR1H3DPP4RENGPR119
SCHEMBL30642958 0.75 NR1H2 (0.49) NR1H2NR1H3DPP4RENCA1
SCHEMBL6706537 0.74 TMEM97 (0.54) ALDH1A1MAPT

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
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed