SCHEMBL10547193

SCHEMBL10547193

c1ccc2nc(COc3ccc(COCCc4nnn[nH]4)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 14/20 0.55
▸ CYSLTR2 Q9NS75 10/20 0.55
▸ FFAR1 O14842 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51

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
SCHEMBL10546925 0.94 CYSLTR1 (0.58) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9827749 0.90 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10610438 0.90 CYSLTR1 (0.60) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10421925 0.89 CYSLTR1 (0.59) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10545912 0.89 CYSLTR1 (0.65) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10548729 0.89 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL10608048 0.88 CYSLTR1 (0.54) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7715810 0.88 CYSLTR1 (0.60) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10608885 0.87 CYSLTR1 (0.67) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10420741 0.87 CYSLTR1 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1

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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