SCHEMBL3972560

SCHEMBL3972560

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.36
BRD4 O60885 1/20 0.35
SSTR1 P30872 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TOP2A P11388 2/20 0.34
DGAT2 Q96PD7 1/20 0.34
TACR1 P25103 2/20 0.34

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
SCHEMBL3973181 0.90 JAK2 (0.40) SSTR5DGAT2TACR1
SCHEMBL3976811 0.89 TP53 (0.43) SSTR5
SCHEMBL3970974 0.89 SSTR5 (0.37) SSTR5BRD4DGAT2TACR1
SCHEMBL3972951 0.89 RXRA (0.42) SSTR5SSTR1TACR1
SCHEMBL3973527 0.89 GABRA5 (0.36) SSTR5TACR1
SCHEMBL3972521 0.87 KDM4E (0.38) SSTR5SSTR1DGAT2TACR1
SCHEMBL3972553 0.87 SSTR5 (0.45) SSTR5SSTR1DGAT2
SCHEMBL3977954 0.86 TACR1 (0.37) SSTR5SSTR1TOP2ATACR1
SCHEMBL3972880 0.86 SSTR5 (0.36) SSTR5TACR1
SCHEMBL3974558 0.81 GLA (0.41) SSTR5SSTR1

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