SCHEMBL8925893

SCHEMBL8925893

C=CCCCCCCCCc1cc2cccnc2c2nc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.43
▸ CCR1 P32246 4/20 0.33
▸ CCR8 P51685 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ MCHR1 Q99705 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL11765137 0.74 CCR1 (0.45) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL31026585 0.73 CCR1 (0.51) TLR8CCR1CCR8L3MBTL1LMNA
SCHEMBL31026594 0.73 CCR1 (0.51) TLR8CCR1CCR8L3MBTL1LMNA
SCHEMBL8925899 0.71 MCHR1 (0.42) TLR8CCR1CCR8DAGLAMCHR1
SCHEMBL11765141 0.71 CCR1 (0.47) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL19436390 0.69 CCR1 (0.43) TLR8CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL9720341 0.69 CCR1 (0.49) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL17681826 0.69 CCR1 (0.70) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL8993828 0.68 HSP90AA1 (0.48) CCR1CCR8L3MBTL1ALDH1A1TDP1
SCHEMBL31026572 0.67 CCR1 (0.54) TLR8CCR1CCR8L3MBTL1LMNA

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
US-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 — — US disclosed
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