SCHEMBL3978560

SCHEMBL3978560

CCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.42
SSTR5 P35346 3/20 0.40
PPARG P37231 1/20 0.40
HCAR3 P49019 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3973958 0.92 SSTR5 (0.40) RXRASSTR5
SCHEMBL3979779 0.91 RXRA (0.41) RXRAPPARGHCAR3MAPT
SCHEMBL3972951 0.91 RXRA (0.42) RXRASSTR5PPARGHCAR3MAPT
SCHEMBL3973033 0.88 SSTR5 (0.42) RXRASSTR5PPARGHCAR3MAPT
SCHEMBL3973372 0.88 RXRA (0.41) RXRAPPARGHCAR3MAPT
SCHEMBL3973405 0.87 RXRA (0.42) RXRAPPARGHCAR3MAPT
SCHEMBL3977983 0.87 SSTR5 (0.41) RXRASSTR5PPARGHCAR3MAPT
SCHEMBL3973856 0.87 L3MBTL1 (0.47) RXRAPPARGMAPT
SCHEMBL4551486 0.83 PTGS2 (0.35) MAPT
SCHEMBL3971524 0.83 MAPK1 (0.36) RXRASSTR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed