SCHEMBL8925899

SCHEMBL8925899

CCCCCCCCC=Cc1cc2cccnc2c2nc(N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.42
▸ TLR8 Q9NR97 2/20 0.40
▸ FAAH O00519 4/20 0.35
▸ CES1 P23141 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.35
▸ CCR1 P32246 2/20 0.35
▸ CCR8 P51685 2/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PDPK1 O15530 1/20 0.33

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
SCHEMBL10891014 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL11059360 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL8605538 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL11739654 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL11059366 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL11739660 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL8605533 0.72 FAAH (0.43) FAAHCES1DAGLAHSP90AA1
SCHEMBL8925893 0.71 TLR8 (0.43) MCHR1TLR8DAGLACCR1CCR8
SCHEMBL18788316 0.71 CCR1 (0.49) CCR1CCR8CCR5IDO1HSP90AA1
SCHEMBL17681826 0.70 CCR1 (0.70) CCR1CCR8CCR5HSP90AA1

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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