SCHEMBL2870977

SCHEMBL2870977

CCCCCCc1c(CC)cc2[nH]nnc2c1CN

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
TYMP P19971 2/20 0.32
GPR84 Q9NQS5 6/20 0.31
HCAR3 P49019 1/20 0.31
HTR2A P28223 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10884468 0.88 HCAR3 (0.31) HCAR2HCAR3
SCHEMBL5459663 0.84 GRIN2D (0.32)
SCHEMBL28446407 0.82 PPARA (0.40) HCAR2HCAR3KDM4EHSD17B10
SCHEMBL5466831 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84
SCHEMBL5444831 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84
SCHEMBL5465489 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84
SCHEMBL5450697 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84
SCHEMBL5450687 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84
SCHEMBL5449275 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84
SCHEMBL5460084 0.80 TLR8 (0.33) HCAR2HTR1AHTR1DHTR1BGPR84

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