SCHEMBL3972951

SCHEMBL3972951

CCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.42
PPARG P37231 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR5 P35346 1/20 0.40
HCAR3 P49019 2/20 0.38
MAPT P10636 1/20 0.38
TACR1 P25103 2/20 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
SCHEMBL3977954 0.92 TACR1 (0.37) RXRASSTR1SSTR5TACR1
SCHEMBL3977983 0.91 SSTR5 (0.41) RXRAPPARGSSTR1SSTR5HCAR3
SCHEMBL3978560 0.91 RXRA (0.42) RXRAPPARGSSTR5HCAR3MAPT
SCHEMBL3972560 0.89 SSTR5 (0.36) SSTR1SSTR5TACR1
SCHEMBL3973372 0.88 RXRA (0.41) RXRAPPARGHCAR3MAPT
SCHEMBL3973033 0.88 SSTR5 (0.42) RXRAPPARGSSTR5HCAR3MAPT
SCHEMBL3972521 0.88 KDM4E (0.38) SSTR1SSTR5MAPTTACR1
SCHEMBL3973405 0.87 RXRA (0.42) RXRAPPARGHCAR3MAPTTACR1
SCHEMBL4703414 0.87 SLC6A2 (0.40) SSTR1SSTR5TACR1
SCHEMBL3979779 0.87 RXRA (0.41) RXRAPPARGHCAR3MAPTTACR1

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