SCHEMBL16213693

SCHEMBL16213693

CC(=O)c1coc(CBr)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.39
DAGLA Q9Y4D2 1/20 0.38
FPR3 P25089 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1166830 0.82 FPR2 (0.42) FPR2DAGLAFPR3HRH3HDAC6
SCHEMBL19871354 0.82 FPR2 (0.40) FPR2DAGLAFPR3HRH3HDAC6
SCHEMBL9926019 0.81 FPR2 (0.39) FPR2DAGLAFPR3HRH3HDAC6
SCHEMBL13820314 0.81 FPR2 (0.39) FPR2DAGLAFPR3HRH3HDAC6
SCHEMBL346006 0.80 CACNA1G (0.42) DAGLAHRH3
SCHEMBL1706523 0.79 DAGLA (0.40) FPR2DAGLAFPR3HRH3HDAC6
SCHEMBL14076074 0.78 FPR2 (0.45) FPR2DAGLAFPR3HRH3HDAC6
SCHEMBL21333174 0.74 DAGLA (0.52) FPR2DAGLA
SCHEMBL26728112 0.74
SCHEMBL1166849 0.73 CYP1A2 (0.38) FPR2DAGLAFPR3

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-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed