SCHEMBL3973181

SCHEMBL3973181

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SSTR5 P35346 5/20 0.38
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GABRA5 P31644 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TACR1 P25103 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
SCHEMBL3970974 0.93 SSTR5 (0.37) SSTR5KMT2AROCK2MAPTLMNA
SCHEMBL3976811 0.93 TP53 (0.43) SSTR5KMT2AROCK2GABRA5GAA
SCHEMBL3972560 0.90 SSTR5 (0.36) SSTR5DGAT2TACR1
SCHEMBL3973527 0.89 GABRA5 (0.36) SSTR5GABRA5TACR1
SCHEMBL3972553 0.88 SSTR5 (0.45) SSTR5DGAT2
SCHEMBL3972880 0.88 SSTR5 (0.36) JAK2SSTR5ROCK2TACR1
SCHEMBL3972521 0.87 KDM4E (0.38) SSTR5MAPTDGAT2POLBTACR1
SCHEMBL3972951 0.87 RXRA (0.42) SSTR5MAPTTACR1
SCHEMBL3977954 0.86 TACR1 (0.37) SSTR5LMNATACR1
SCHEMBL3977471 0.81 RAB9A (0.40) L3MBTL1SSTR5KMT2AMAPT

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