SCHEMBL8094916

SCHEMBL8094916

CCCCc1ccccc1Cc1ccc(Cc2cccc(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TLR8 Q9NR97 3/20 0.42
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LTA4H P09960 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.37
MPO P05164 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL8101879 0.95 CNR1 (0.48) CNR1CNR2TLR8HTR2ATAAR1
SCHEMBL8093556 0.95 CNR1 (0.46) CNR1CNR2TLR8HTR2ATAAR1
SCHEMBL8093119 0.94 CNR1 (0.47) CNR1CNR2TLR8HTR2ATAAR1
SCHEMBL8099385 0.94 CNR1 (0.47) CNR1CNR2TLR8HTR2ATAAR1
SCHEMBL8102345 0.94 CNR1 (0.47) CNR1CNR2TLR8HTR2ATAAR1
SCHEMBL8095605 0.91 CNR1 (0.42) CNR1CNR2TLR8TAAR1LTA4H
SCHEMBL8100890 0.91 LTA4H (0.46) CNR1CNR2HTR2ATAAR1LTA4H
SCHEMBL8094294 0.91 CNR1 (0.51) CNR1CNR2TLR8TAAR1
SCHEMBL8099907 0.89 CNR1 (0.44) CNR1CNR2TLR8TAAR1LTA4H
SCHEMBL8093704 0.89 CNR1 (0.50) CNR1CNR2TLR8TAAR1

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