SCHEMBL28064829

SCHEMBL28064829

CCCCCc1nc2c(ccc3cccnc32)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.48
CCR8 P51685 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
CCR5 P51681 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HSP90AA1 P07900 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL27850567 0.84 ATM (0.44) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL16178787 0.81 ATM (0.50) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL9001640 0.81 CCR1 (0.46) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL9528545 0.77 PDE10A (0.58) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL31026567 0.76 PDE10A (0.57) CCR1CCR8L3MBTL1CCR5TDP1
Hydrochloric Acid SCHEMBL28782888 0.76 PDE10A (0.57) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL31026595 0.76 PDE10A (0.57) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL28813000 0.76 PDE10A (0.57) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL10480813 0.76 PDE10A (0.57) CCR1CCR8L3MBTL1CCR5TDP1
SCHEMBL27915486 0.76 PDE10A (0.57) CCR1CCR8L3MBTL1CCR5TDP1

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-105566043-A Ethylene oligomerization reaction method CHINA PETROLEUM & CHEM CORP 2016-05-11 CN disclosed