SCHEMBL3973186

SCHEMBL3973186

C=CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCCCC)c4)CC3)CC2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.49
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
EHMT2 Q96KQ7 5/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
APP P05067 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
SCHEMBL3971835 0.84 SSTR5 (0.46) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL4702165 0.84 SSTR5 (0.46) SSTR5HRH1HTR2BEHMT2MAPK1
SCHEMBL3977762 0.81 SSTR5 (0.52) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL3972791 0.80 SSTR5 (0.51) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL3977626 0.80 SSTR5 (0.49) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL2418681 0.79 SSTR5 (0.64) SSTR5HRH1HTR2BEHMT2ACHE
SCHEMBL2420954 0.79 SSTR5 (0.56) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL4002561 0.78 DRD2 (0.45) SSTR5HRH1HTR2BMEN1KMT2A
SCHEMBL3996819 0.77 SSTR5 (0.48) SSTR5HRH1HTR2BEHMT2MAPK1
SCHEMBL3937223 0.76 SSTR5 (0.48) SSTR5HRH1HTR2B

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 2 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