SCHEMBL2870974

SCHEMBL2870974

CCCCCC(CC)n1nnc2c(CN)cccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.36
GRM2 Q14416 3/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
ADA P00813 1/20 0.34
CYP4Z1 Q86W10 5/20 0.33
SLC9A1 P19634 4/20 0.33
HCAR3 P49019 1/20 0.32

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
Bromide SCHEMBL28257701 0.75 SLC9A1 (0.52) TLR8CYP4Z1SLC9A1HCAR3
SCHEMBL21834057 0.74 GRM2 (0.43) TLR8GRM2OPRM1CYP4Z1SLC9A1
SCHEMBL20681612 0.73 RPS6KB1 (0.41) OPRK1ADA
SCHEMBL24192397 0.70 SLC9A1 (0.52) TLR8CYP4Z1SLC9A1
SCHEMBL21311179 0.69 SLC9A1 (0.57) TLR8CYP4Z1SLC9A1
SCHEMBL25849028 0.69 SLC9A1 (0.57) TLR8CYP4Z1SLC9A1
Bromide SCHEMBL28866483 0.68 SLC9A1 (0.54) TLR8CYP4Z1SLC9A1HCAR3
SCHEMBL20942794 0.66 GRM2 (0.42) TLR8GRM2CYP4Z1SLC9A1
SCHEMBL20681542 0.65 RPS6KB1 (0.43) OPRK1ADA
SCHEMBL18587671 0.65 NR1I2 (0.39) TLR8OPRM1OPRD1OPRK1OPRL1

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
US-8357642-B2 Functional fluid CHIYODA CHEMICAL CO., LTD. (JP) 2013-01-22 US disclosed
US-20100137174-A1 FUNCTIONAL FLUID CHIYODA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed