SCHEMBL10799752

SCHEMBL10799752

CCCc1c(O)[c]ccc1OCc1ccc(CCCC#N)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR2C P28335 1/20 0.33
HSPE1 P61604 1/20 0.33

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
SCHEMBL10799286 0.93 GPR84 (0.34) CYSLTR1CYSLTR2GPR84BCHECTSD
SCHEMBL10798392 0.85 CYSLTR1 (0.33) CYSLTR1CYSLTR2GPR84ESR1ADRA2A
SCHEMBL10975508 0.84 ESR1 (0.35) CYSLTR1CYSLTR2GPR84ESR1ADRA2A
SCHEMBL10804059 0.83 CYSLTR1 (0.34) CYSLTR1CYSLTR2GPR84BCHECTSD
SCHEMBL10799322 0.82 MEN1 (0.36) CYSLTR1CYSLTR2GPR84ESR1ADRA2A
SCHEMBL10727409 0.76 CYSLTR1 (0.57) CYSLTR1CYSLTR2LMNACTSDGRM2
SCHEMBL10798437 0.76 CYSLTR1 (0.38) CYSLTR1CYSLTR2GPR84CTSDGRM2
SCHEMBL10799377 0.73 CYSLTR1 (0.39) CYSLTR1CYSLTR2GPR84CTSDGRM2
SCHEMBL10798804 0.73 CYSLTR1 (0.35) CYSLTR1CYSLTR2GPR84GRM2
SCHEMBL11393475 0.72 PPARG (0.36) CYSLTR1CYSLTR2LMNAHSD17B10GRM2

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-0132124-B1 NOVEL PHARMACEUTICAL COMPOUNDS AND THEIR PREPARATION Lilly Industries Limited (GB) 1987-09-23 EP disclosed
EP-0132124-A1 Novel pharmaceutical compounds and their preparation Lilly Industries Limited (GB) 1985-01-23 EP disclosed