SCHEMBL1584553

SCHEMBL1584553

Cc1cc(COc2ccccc2N2CCCC2CC(=O)O)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.50
PPARG P37231 1/20 0.50
CD274 Q9NZQ7 2/20 0.46
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41

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
SCHEMBL1604379 0.82 FFAR1 (0.66) FFAR1PPARG
SCHEMBL1585314 0.82 FFAR1 (0.66) FFAR1PPARG
SCHEMBL1584602 0.82 CD274 (0.48) FFAR1PPARGCD274
SCHEMBL1584512 0.77 FFAR1 (0.72) FFAR1PPARG
SCHEMBL1584234 0.75 FFAR1 (0.63) FFAR1PPARG
SCHEMBL12708083 0.74 FFAR1 (0.55) FFAR1PPARG
SCHEMBL1604246 0.73 FFAR1 (0.53) FFAR1PPARGSMN1; SMN2
SCHEMBL1604245 0.73 FFAR1 (0.53) FFAR1PPARGSMN1; SMN2
SCHEMBL1584814 0.73 FFAR1 (0.56) FFAR1PPARGMEN1ALDH1A1KMT2A
SCHEMBL1584543 0.72 FFAR1 (0.60) FFAR1PPARG

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-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed