SCHEMBL4246716

SCHEMBL4246716

c1ccc(-c2ccc(CNCCN3CCOCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.60
TNKS2 Q9H2K2 1/20 0.59
HPGD P15428 1/20 0.58
CD274 Q9NZQ7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
CYP2D6 P10635 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
MMP12 P39900 1/20 0.50
POLB P06746 1/20 0.50
APP P05067 1/20 0.49

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
SCHEMBL39631 0.91 DPP7 (0.73) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5758788 0.89 DPP7 (0.71) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7000083 0.89 DPP7 (0.71) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
SCHEMBL3166127 0.89 CYP2D6 (0.65) DPP7TNKS2L3MBTL1CYP2D6ALDH1A1
SCHEMBL4423135 0.87 POLB (0.58) TNKS2CD274L3MBTL1CYP2D6ALDH1A1
SCHEMBL4717475 0.83 CD274 (0.62) TNKS2CD274L3MBTL1CYP2D6ALDH1A1
SCHEMBL3179723 0.83 CYP2C19 (0.76) DPP7TNKS2L3MBTL1CYP2D6ALDH1A1
SCHEMBL14068495 0.82 CYP2C19 (0.70) DPP7CYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL12093346 0.82 POLB (0.60) DPP7TNKS2L3MBTL1CYP2D6ALDH1A1
SCHEMBL14782117 0.82 CYP2D6 (0.57) DPP7TNKS2CD274L3MBTL1CYP2D6

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-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed