SCHEMBL3972553

SCHEMBL3972553

CCOc1cc(CN(c2ccc(C(=O)NC3CCC3)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.45
DGAT2 Q96PD7 2/20 0.42
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SSTR1 P30872 1/20 0.40
HRH1 P35367 1/20 0.40

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 0.88 JAK2 (0.40) SSTR5DGAT2
SCHEMBL3970974 0.88 SSTR5 (0.37) SSTR5DGAT2
SCHEMBL3976811 0.88 TP53 (0.43) SSTR5HPGDRAB9A
SCHEMBL3972521 0.87 KDM4E (0.38) SSTR5DGAT2SMN1; SMN2SSTR1
SCHEMBL3972951 0.87 RXRA (0.42) SSTR5SSTR1
SCHEMBL3972560 0.87 SSTR5 (0.36) SSTR5DGAT2SSTR1
SCHEMBL3977954 0.86 TACR1 (0.37) SSTR5SSTR1
SCHEMBL3972880 0.86 SSTR5 (0.36) SSTR5
SCHEMBL3973527 0.85 GABRA5 (0.36) SSTR5
SCHEMBL3977471 0.81 RAB9A (0.40) SSTR5HPGDRAB9ASMN1; SMN2SSTR1

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