SCHEMBL8095518

SCHEMBL8095518

CCCCc1cccc(Cc2ccccc2)c1CCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.44
HTR2A P28223 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HSD11B1 P28845 1/20 0.38
HRH1 P35367 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
CALM1 P0DP23 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
SCHEMBL8095162 0.95 TLR8 (0.49) TLR8HTR2ALIPGSIGMAR1CYSLTR2
SCHEMBL8087327 0.93 LIPG (0.49) TLR8LIPGCYSLTR2CYSLTR1
SCHEMBL8100321 0.93 LIPG (0.49) TLR8LIPGCYSLTR2CYSLTR1
SCHEMBL8102396 0.93 LIPG (0.49) TLR8LIPGCYSLTR2CYSLTR1
Phenol SCHEMBL28085339 0.92 DRD2 (0.43) TLR8LMNAHTTLDHALDHB
SCHEMBL8087736 0.89 TLR8 (0.43) TLR8HTR2ALMNAHTTLIPG
SCHEMBL2049765 0.87 SIGMAR1 (0.44) TLR8HTTLIPGSIGMAR1HSD11B1
SCHEMBL10918220 0.87 LIPG (0.41) TLR8HTTLIPGCYSLTR2CYSLTR1
Phenol SCHEMBL28176922 0.86 BID (0.47) TLR8LMNALIPGCYSLTR2CYSLTR1
SCHEMBL6546504 0.86 TLR8 (0.44) TLR8HTR2ALMNAHTTLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed