SCHEMBL19006850

SCHEMBL19006850

CCCCCCc1cc(C)cc(C2(C)c3cc(C)ccc3-c3ccc(Br)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
CYP2J2 P51589 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
TRPV2 Q9Y5S1 1/20 0.39
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL19996217 0.96 CNR2 (0.37) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL19001594 0.91 GPR3 (0.38) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL15164215 0.89 NPC1 (0.39) SLC6A2HTR2ASLC6A4NPC1NFKB1
SCHEMBL19074968 0.84 NPC1 (0.36) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL20962170 0.84 NPC1 (0.36) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL18216923 0.83 GPR3 (0.40) CYP1A2NPC1NFKB1RAB9ANFKB2
SCHEMBL19996219 0.83 NPC1 (0.38) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL19996216 0.83 TRPA1 (0.32) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL20082198 0.82 CNR2 (0.37) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL19996194 0.81 CNR2 (0.37) CNR2CNR1TRPA1CYP1A1CYP1A2

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-3390418-B1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECH LTD (GB) 2020-08-05 EP disclosed
WO-2017103584-A1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed