SCHEMBL27903779

SCHEMBL27903779

Cc1ccc2nc(COc3cccc(C(=O)NF)c3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 6/20 0.59
▸ GPBAR1 Q8TDU6 1/20 0.58
▸ CYSLTR2 Q9NS75 4/20 0.56
▸ NR1H4 Q96RI1 2/20 0.47

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
SCHEMBL27921602 0.82 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL27903715 0.81 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2NR1H4
SCHEMBL4759098 0.78 PTGER4 (0.52) —
SCHEMBL8171804 0.77 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9337227 0.77 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL12046916 0.77 CYSLTR1 (0.77) CYSLTR1GPBAR1CYSLTR2
SCHEMBL3362235 0.77 CYSLTR1 (0.63) CYSLTR1GPBAR1CYSLTR2
SCHEMBL28805886 0.76 PTGER4 (0.58) NR1H4
SCHEMBL10546719 0.76 CYSLTR1 (0.72) CYSLTR1GPBAR1
SCHEMBL28775646 0.75 PPARA (0.60) NR1H4

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
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 — — CN claimed
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