SCHEMBL3970142

SCHEMBL3970142

CCOc1cc(CN(c2cc(C(=O)OC)cc(Cl)n2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.34
KCNH2 Q12809 2/20 0.34
TACR1 P25103 4/20 0.34
HTR2A P28223 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
MC4R P32245 1/20 0.32

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
SCHEMBL3972867 0.93 SSTR5 (0.35) SSTR5KCNH2TACR1SLC6A2SLC6A4
SCHEMBL3978900 0.89 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL3971319 0.89 REN (0.42) KCNH2TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL3937177 0.86 TACR1 (0.35) SSTR5KCNH2TACR1HTR2ASLC6A2
SCHEMBL3973182 0.84 SSTR5 (0.38) SSTR5KCNH2TACR1SLC6A2SLC6A4
SCHEMBL3970171 0.81 HTR2A (0.36) SSTR5KCNH2TACR1HTR2ASLC6A2
SCHEMBL3978569 0.81 SSTR5 (0.45) SSTR5KCNH2
SCHEMBL3972445 0.79 SSTR5 (0.40) SSTR5KCNH2TACR1HTR2ASLC6A2
SCHEMBL4705309 0.79 SLC6A2 (0.41) SSTR5KCNH2TACR1HTR2ASLC6A2
SCHEMBL3973958 0.78 SSTR5 (0.40) SSTR5KCNH2TACR1HTR2ASLC6A2

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