SCHEMBL9735250

SCHEMBL9735250

CCc1c(OCCCCCCC(=O)NC)cc(O)cc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.41
CNR1 P21554 14/20 0.41
TRPV1 Q8NER1 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PDE5A O76074 2/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37

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
SCHEMBL9417752 0.79 LTB4R (0.53) PDE5APDE1APDE1BPDE1C
SCHEMBL9737478 0.75 NR1H4 (0.40) CYSLTR2CYSLTR1
SCHEMBL9735490 0.68 TSHR (0.37) CYSLTR2CYSLTR1
SCHEMBL9737643 0.68 MRGPRX4 (0.58) PDE5A
SCHEMBL19143608 0.65 KDM4E (0.49) TRPV1
SCHEMBL28811440 0.65 ALB (0.50) CNR2CNR1CYSLTR2CYSLTR1
SCHEMBL9417862 0.64 PDE5A (0.60) CYSLTR2CYSLTR1PDE5APDE1APDE1B
SCHEMBL13165911 0.63 THRA (0.49) CNR2CNR1
SCHEMBL12333287 0.62 HDAC3 (0.55)
SCHEMBL6159056 0.62 HDAC3 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed