SCHEMBL2495894

SCHEMBL2495894

O=C(O)N(Cc1ccccc1)[C@H]1CCC[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.60
CTSD P07339 1/20 0.50
AGER Q15109 3/20 0.48
MTNR1A P48039 1/20 0.48
KCNA5 P22460 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 3/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL23144528 0.87 SLC18A3 (0.54) SLC18A3CTSDAGERMTNR1AKCNA5
SCHEMBL1755585 0.86 SLC18A3 (0.64) SLC18A3CTSDAGERMTNR1AKCNA5
SCHEMBL17314168 0.84 SLC18A3 (0.57) SLC18A3CTSDAGERMTNR1AKCNA5
SCHEMBL17314169 0.84 SLC18A3 (0.57) SLC18A3CTSDAGERMTNR1AKCNA5
SCHEMBL17314167 0.84 SLC18A3 (0.57) SLC18A3CTSDAGERMTNR1AKCNA5
SCHEMBL1766140 0.83 CTSD (0.49) SLC18A3CTSDAGERMTNR1AMEN1
SCHEMBL1766139 0.83 CTSD (0.49) SLC18A3CTSDAGERMTNR1AMEN1
SCHEMBL19047844 0.82 AGER (0.54) SLC18A3AGERMTNR1AKCNA5MEN1
SCHEMBL3341171 0.82 SLC18A3 (0.55) SLC18A3CTSDAGERMTNR1AKCNA5
SCHEMBL12685154 0.81 SLC18A3 (0.66) SLC18A3AGERMTNR1AKCNA5MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed