SCHEMBL3970974

SCHEMBL3970974

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.37
BRD4 O60885 1/20 0.36
KMT2A Q03164 2/20 0.35
ROCK2 O75116 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
GABRA5 P31644 1/20 0.34
GAA P10253 1/20 0.34
TACR1 P25103 2/20 0.34
MEN1 O00255 1/20 0.33

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 0.93 JAK2 (0.40) SSTR5KMT2AROCK2LMNAMAPT
SCHEMBL3976811 0.92 TP53 (0.43) SSTR5KMT2AROCK2GABRA5GAA
SCHEMBL3972560 0.89 SSTR5 (0.36) SSTR5BRD4DGAT2TACR1
SCHEMBL3973527 0.88 GABRA5 (0.36) SSTR5GABRA5TACR1
SCHEMBL3972553 0.88 SSTR5 (0.45) SSTR5DGAT2
SCHEMBL3972521 0.87 KDM4E (0.38) SSTR5MAPTDGAT2TACR1
SCHEMBL3972951 0.86 RXRA (0.42) SSTR5MAPTTACR1
SCHEMBL3977954 0.85 TACR1 (0.37) SSTR5LMNATACR1
SCHEMBL3972880 0.85 SSTR5 (0.36) SSTR5ROCK2TACR1
SCHEMBL3977471 0.82 RAB9A (0.40) SSTR5KMT2AMAPT

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