SCHEMBL10548729

SCHEMBL10548729

c1cc(COCCc2nnn[nH]2)cc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.56
▸ GPBAR1 Q8TDU6 2/20 0.56
▸ CYSLTR2 Q9NS75 6/20 0.56

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
SCHEMBL9818406 0.91 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9829438 0.91 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10422102 0.90 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10420752 0.90 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10543850 0.90 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10547193 0.89 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL10421082 0.89 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9818417 0.88 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7010393 0.88 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10547291 0.88 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2

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-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 — — US disclosed
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