SCHEMBL10544006

SCHEMBL10544006

c1ccc(OCc2nnn[nH]2)c(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.51
CYSLTR2 Q9NS75 7/20 0.51
PDE10A Q9Y233 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL7714941 0.94 CYSLTR1 (0.47) CYSLTR1CYSLTR2PDE10A
SCHEMBL7717000 0.91 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL10546763 0.90 CYSLTR1 (0.62) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10543699 0.89 CYSLTR2 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10549019 0.89 CYSLTR2 (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089752 0.89 CYSLTR1 (0.55) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL7717069 0.88 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10546151 0.88 CYSLTR1 (0.45) CYSLTR1CYSLTR2PDE10A
SCHEMBL10547968 0.87 CYSLTR1 (0.46) CYSLTR1CYSLTR2PDE10A
SCHEMBL10546071 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1

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-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed