SCHEMBL534910

SCHEMBL534910

CCOC(=O)C1=C(c2ccc(F)c(F)c2)CCN(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 17/20 0.50
CHRM1 P11229 17/20 0.50
CHRM2 P08172 12/20 0.50
CHRM4 P08173 12/20 0.50
CHRM3 P20309 12/20 0.50
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL557123 0.86 ADORA1 (0.45) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4049327 0.84 SLC6A3 (0.60) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474564 0.82 CHRM5 (0.59) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL14919952 0.81 CHRM5 (0.56) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3003772 0.75 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5729554 0.73 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL20475211 0.72 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL25427702 0.71 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5731017 0.71 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3197591 0.71 SLC6A3 (0.55) CHRM5CHRM1CHRM2CHRM4CHRM3

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
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed