SCHEMBL3972831

SCHEMBL3972831

CCOc1cc(CN(c2ccc(C(=O)N3CCN(CC=O)CC3)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
SSTR5 P35346 2/20 0.37
UTS2R Q9UKP6 1/20 0.36
PROKR1 Q8TCW9 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SSTR1 P30872 1/20 0.35
PRKAA2 P54646 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
DGAT2 Q96PD7 3/20 0.34
F10 P00742 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 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
SCHEMBL3977471 0.90 RAB9A (0.40) RAB9ASSTR5UTS2RPROKR1KMT2A
SCHEMBL3974588 0.88 HSD17B10 (0.43) RAB9APROKR1SMN1; SMN2DGAT2NPSR1
SCHEMBL3974558 0.87 GLA (0.41) RAB9ASSTR5PROKR1GAASSTR1
SCHEMBL3972516 0.86 GLA (0.42) RAB9ASSTR5PROKR1MEN1GAA
SCHEMBL3972435 0.86 PROKR1 (0.41) RAB9ASSTR5PROKR1KMT2AGLA
SCHEMBL3972951 0.83 RXRA (0.42) SSTR5SSTR1
SCHEMBL3977954 0.82 TACR1 (0.37) SSTR5SSTR1MAPK1
SCHEMBL3972521 0.80 KDM4E (0.38) SSTR5SMN1; SMN2SSTR1DGAT2
SCHEMBL3970974 0.79 SSTR5 (0.37) SSTR5MEN1GAAKMT2ADGAT2
SCHEMBL3972560 0.78 SSTR5 (0.36) SSTR5SSTR1DGAT2

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