SCHEMBL8095605

SCHEMBL8095605

CCCCc1cc(Cc2cccc(C)c2)ccc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TLR8 Q9NR97 2/20 0.41
LTA4H P09960 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 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
SCHEMBL8087092 0.96 CNR1 (0.46) CNR1CNR2TLR8LTA4HTAAR1
SCHEMBL8099907 0.96 CNR1 (0.44) CNR1CNR2TLR8LTA4HTAAR1
SCHEMBL8086350 0.94 CNR1 (0.46) CNR1CNR2TLR8LTA4H
SCHEMBL8099736 0.94 CNR1 (0.46) CNR1CNR2TLR8LTA4H
SCHEMBL8099834 0.94 CNR1 (0.46) CNR1CNR2TLR8LTA4H
SCHEMBL8101996 0.91 LTA4H (0.44) CNR1CNR2LTA4HTAAR1NPC1
SCHEMBL8095568 0.91 CNR1 (0.49) CNR1CNR2TLR8LTA4HTAAR1
SCHEMBL8094916 0.91 CNR1 (0.44) CNR1CNR2TLR8LTA4HTAAR1
SCHEMBL8093845 0.91 TLR8 (0.43) CNR1CNR2TLR8LTA4HMTNR1A
SCHEMBL8087103 0.90 CNR1 (0.48) CNR1CNR2TLR8LTA4HTAAR1

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