SCHEMBL8099736

SCHEMBL8099736

CCCCCCc1cc(Cc2cccc(C)c2)ccc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
TLR8 Q9NR97 5/20 0.44
KCNH2 Q12809 1/20 0.38
GPR3 P46089 1/20 0.38
LIPG Q9Y5X9 2/20 0.38
LTA4H P09960 1/20 0.38
LPL P06858 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
SCHEMBL8099834 1.00 CNR1 (0.46) CNR1CNR2TLR8KCNH2GPR3
SCHEMBL8086350 1.00 CNR1 (0.46) CNR1CNR2TLR8KCNH2GPR3
SCHEMBL8087092 0.99 CNR1 (0.46) CNR1CNR2TLR8LTA4H
SCHEMBL8087103 0.96 CNR1 (0.48) CNR1CNR2TLR8GPR3LIPG
SCHEMBL8102084 0.96 CNR1 (0.48) CNR1CNR2TLR8GPR3LIPG
SCHEMBL8094871 0.96 CNR1 (0.48) CNR1CNR2TLR8GPR3LIPG
SCHEMBL8095605 0.94 CNR1 (0.42) CNR1CNR2TLR8LTA4H
SCHEMBL8095568 0.94 CNR1 (0.49) CNR1CNR2TLR8LIPGLTA4H
SCHEMBL8102345 0.92 CNR1 (0.47) CNR1CNR2TLR8GPR3LIPG
SCHEMBL8099385 0.92 CNR1 (0.47) CNR1CNR2TLR8GPR3LIPG

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