SCHEMBL12465699

SCHEMBL12465699

CC1(C)CCOc2c(F)cc(C(Br)C=O)cc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.33
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL12465803 0.77 RARA (0.44) SSTR5PTGS1PTGS2
SCHEMBL3819800 0.69 RXRA (0.49)
SCHEMBL12465698 0.68 PTGS2 (0.46) SSTR5PTGS1PTGS2
SCHEMBL17344743 0.67
SCHEMBL6992997 0.67 CES2 (0.39)
SCHEMBL12465678 0.65 SSTR5 (0.33) SSTR5
SCHEMBL16600784 0.64 ERN1 (0.39)
SCHEMBL2464415 0.63 TUBB1 (0.38)
SCHEMBL16259587 0.63 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL671842 0.62 RARB (0.33) PTGS1PTGS2

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-2670744-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR Lupin Limited (IN) 2013-12-11 EP disclosed
WO-2012104782-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2012-08-09 WO disclosed