SCHEMBL3973856

SCHEMBL3973856

CCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
REN P00797 3/20 0.44
TSHR P16473 1/20 0.42
RXRA P19793 5/20 0.41
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MBTPS1 Q14703 3/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 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
SCHEMBL3972925 0.93 MAPK1 (0.44) L3MBTL1RENALDH1A1MAPTSMN1; SMN2
SCHEMBL3973369 0.92 REN (0.43) L3MBTL1RENALDH1A1MAPTSMN1; SMN2
SCHEMBL3974286 0.91 REN (0.43) L3MBTL1RENALDH1A1MAPTSMN1; SMN2
SCHEMBL3973033 0.90 SSTR5 (0.42) RXRAPPARGMAPT
SCHEMBL3973372 0.90 RXRA (0.41) RXRAPPARGALDH1A1MAPT
SCHEMBL3979779 0.89 RXRA (0.41) RXRAPPARGMAPT
SCHEMBL3977983 0.89 SSTR5 (0.41) RXRAPPARGMAPTMBTPS1
SCHEMBL3978560 0.87 RXRA (0.42) RXRAPPARGMAPT
SCHEMBL3972951 0.87 RXRA (0.42) RXRAPPARGMAPT
SCHEMBL3973371 0.87 L3MBTL1 (0.53) L3MBTL1RENTSHRALDH1A1MAPT

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