SCHEMBL4407064

SCHEMBL4407064

CCCCCn1nnc(Cc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
TRPV1 Q8NER1 2/20 0.52
CNR1 P21554 1/20 0.52
HDAC6 Q9UBN7 1/20 0.46
TLR8 Q9NR97 1/20 0.45
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4410788 0.98 CNR2 (0.51) CNR2TRPV1CNR1HDAC6TLR8
SCHEMBL4411302 0.95 CNR2 (0.54) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4407827 0.89 CNR2 (0.56) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL836445 0.83 CNR2 (0.50) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4404110 0.82 TRPV1 (0.59) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL9111574 0.82 S1PR2 (0.48) RAB9AMEN1NPC1KMT2ATSHR
SCHEMBL22205171 0.81 TRPV1 (0.46) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4405605 0.77 HDAC6 (0.68) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4411081 0.77 KMT2A (0.41) TRPV1TLR8MEN1KMT2A
SCHEMBL4403796 0.76 RAB9A (0.56) TRPV1RAB9ACYP1A2CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed