SCHEMBL3973033

SCHEMBL3973033

CCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.42
RXRA P19793 11/20 0.41
PPARG P37231 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HCAR3 P49019 2/20 0.38
KCNH2 Q12809 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAPT P10636 1/20 0.37
KIFC1 Q9BW19 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL3971901 0.92 SSTR5 (0.43) SSTR5RXRASLC6A2SLC6A4SLC6A3
SCHEMBL3973372 0.91 RXRA (0.41) RXRAPPARGSLC6A2SLC6A4SLC6A3
SCHEMBL3973856 0.90 L3MBTL1 (0.47) RXRAPPARGMAPT
SCHEMBL3977983 0.90 SSTR5 (0.41) SSTR5RXRAPPARGSLC6A2SLC6A4
SCHEMBL3979779 0.90 RXRA (0.41) RXRAPPARGSLC6A2SLC6A4SLC6A3
SCHEMBL4705064 0.89 SLC6A2 (0.45) SSTR5RXRASLC6A2SLC6A4SLC6A3
SCHEMBL3972951 0.88 RXRA (0.42) SSTR5RXRAPPARGHCAR3MAPT
SCHEMBL3978560 0.88 RXRA (0.42) SSTR5RXRAPPARGHCAR3MAPT
SCHEMBL3973405 0.85 RXRA (0.42) RXRAPPARGSLC6A2SLC6A4SLC6A3
SCHEMBL3972421 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3

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