SCHEMBL2457070

SCHEMBL2457070

O=c1c(Cc2cccc(Cl)c2)c(C2CCOCC2)[nH]c2ncnn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.44
PDE1B Q01064 4/20 0.42
PDE1A P54750 2/20 0.42
PDE1C Q14123 2/20 0.42
CCR5 P51681 2/20 0.41
ENPP1 P22413 1/20 0.39
NR3C1 P04150 5/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
PLAT P00750 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2456565 0.93 CCR2 (0.50) CCR2PDE1BCCR5ENPP1NR3C1
SCHEMBL2456663 0.91 CCR2 (0.48) CCR2PDE1BCCR5ENPP1NR3C1
SCHEMBL2460219 0.91 CCR2 (0.46) CCR2PDE1BCCR5ENPP1NR3C1
SCHEMBL2462973 0.82 CCR2 (0.39) CCR2PDE1BCCR5PLAT
SCHEMBL2465404 0.82 NR3C1 (0.47) CCR2PDE1BENPP1NR3C1PGR
SCHEMBL2456675 0.82 CCR2 (0.41) CCR2PDE1BCCR5ENPP1NR3C1
SCHEMBL2456672 0.82 CCR2 (0.41) CCR2PDE1BCCR5ENPP1NR3C1
SCHEMBL2455177 0.81 NR3C1 (0.46) CCR2PDE1BCCR5ENPP1NR3C1
SCHEMBL2459450 0.80 ENPP1 (0.47) CCR2PDE1BCCR5ENPP1
SCHEMBL2457418 0.80 CCR2 (0.42) CCR2PDE1BCCR5NR3C1PLAT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed