SCHEMBL8093845

SCHEMBL8093845

CCCCc1cc(Cc2ccccc2)ccc1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
IDH1 O75874 1/20 0.42
HTR2A P28223 1/20 0.42
CALM1 P0DP23 1/20 0.41
LMNA P02545 2/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
TYR P14679 1/20 0.40
ALOX5 P09917 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LTA4H P09960 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTT P42858 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
SCHEMBL8094695 0.95 TLR8 (0.48) TLR8IDH1HTR2ATYRALOX5
SCHEMBL8096168 0.93 TLR8 (0.47) TLR8HTR2ATYRALOX5CNR1
SCHEMBL8098813 0.93 TLR8 (0.47) TLR8HTR2ATYRALOX5CNR1
SCHEMBL8101651 0.93 TLR8 (0.47) TLR8HTR2ATYRALOX5CNR1
SCHEMBL8095605 0.91 CNR1 (0.42) TLR8CNR1CNR2LTA4HMTNR1A
SCHEMBL8102088 0.91 TLR8 (0.42) TLR8HTR2ALMNACNR1CNR2
SCHEMBL8095678 0.89 CALM1 (0.44) IDH1HTR2ACALM1LMNABCL2
SCHEMBL8093734 0.87 HTR2A (0.55) TLR8HTR2ACALM1LMNABCL2
SCHEMBL8771450 0.87 TLR8 (0.48) TLR8HTR2A
SCHEMBL8771502 0.87 TLR8 (0.48) TLR8HTR2A

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