SCHEMBL3972867

SCHEMBL3972867

CCOc1cc(CN(c2cc(C(=O)OC)cc(Cl)n2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.35
TACR1 P25103 3/20 0.35
SSTR1 P30872 1/20 0.34
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 5/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PROKR1 Q8TCW9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
REN P00797 1/20 0.31
CREBBP Q92793 1/20 0.31
QPCT Q16769 1/20 0.31

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
SCHEMBL3970142 0.93 SSTR5 (0.34) SSTR5TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL3973182 0.91 SSTR5 (0.38) SSTR5TACR1SSTR1SLC6A2SLC6A4
SCHEMBL3971319 0.90 REN (0.42) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3978900 0.88 SSTR5 (0.44) SSTR5SSTR1KCNH2
SCHEMBL3977643 0.83 SSTR5 (0.35) SSTR5TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL4705827 0.80 SLC6A2 (0.41) SSTR5TACR1SSTR1SLC6A2SLC6A4
SCHEMBL3977954 0.79 TACR1 (0.37) SSTR5TACR1SSTR1SLC6A2SLC6A4
SCHEMBL4593460 0.79 SSTR5 (0.47) SSTR5TACR1SSTR1KCNH2CREBBP
SCHEMBL4594394 0.79 SSTR1 (0.39) SSTR5TACR1SSTR1ALDH1A1SMN1; SMN2
SCHEMBL4593912 0.79 SSTR5 (0.41) SSTR5TACR1SSTR1KCNH2ALDH1A1

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