SCHEMBL3974588

SCHEMBL3974588

CCOc1cc(CN(c2ccc(C(=O)N3CCOCC3)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
LRRK2 Q5S007 5/20 0.42
DGAT2 Q96PD7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
AOC3 Q16853 1/20 0.39
PROKR1 Q8TCW9 2/20 0.38
MTOR P42345 1/20 0.38
VNN1 O95497 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 0.91 RAB9A (0.40) LRRK2HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL3974558 0.90 GLA (0.41) MAPTRAB9APROKR1
SCHEMBL3972516 0.89 GLA (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1PROKR1
SCHEMBL3972435 0.89 PROKR1 (0.41) HPGDRAB9APROKR1VNN1
SCHEMBL3972831 0.88 RAB9A (0.37) DGAT2RAB9ASMN1; SMN2NPSR1PROKR1
SCHEMBL3972951 0.85 RXRA (0.42) MAPT
SCHEMBL3977954 0.85 TACR1 (0.37) LMNAKDM4E
SCHEMBL3972521 0.81 KDM4E (0.38) DGAT2MAPTSMN1; SMN2KDM4E
SCHEMBL3972560 0.80 SSTR5 (0.36) DGAT2
SCHEMBL3973181 0.80 JAK2 (0.40) DGAT2LMNAMAPT

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