SCHEMBL6445513

SCHEMBL6445513

CCCC1OCCN1CCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.33
DRD1 P21728 2/20 0.33
GBA2 Q9HCG7 2/20 0.32
DRD3 P35462 7/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
OPRM1 P35372 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
DRD4 P21917 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL6448961 0.89 DRD2 (0.35) DRD2DRD1DRD3ALDH1A1CYP1A2
SCHEMBL18393518 0.87 EPHX1 (0.34) DRD2DRD1GBA2DRD3ALDH1A1
SCHEMBL8863480 0.86 GBA2 (0.38) GBA2MAPK1LMNA
SCHEMBL6442832 0.86 DRD2 (0.31) DRD2DRD1GBA2DRD3ALDH1A1
SCHEMBL17854776 0.80 EPHX1 (0.34) DRD2DRD1GBA2DRD3ALDH1A1
SCHEMBL17838104 0.77 EPHX1 (0.40) GBA2ALDH1A1
SCHEMBL359535 0.77 EPHX1 (0.44) GBA2ALDH1A1
SCHEMBL308482 0.74 DRD3 (0.33) DRD2DRD1DRD3ALDH1A1CYP1A2
SCHEMBL6441443 0.74 PDK1 (0.34) DRD2DRD1DRD3ALDH1A1CYP1A2
SCHEMBL6442266 0.72

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-1537158-B1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF SE (DE) 2013-04-24 EP disclosed
US-20050244652-A1 Radiation curable polyurethanes with capped amino groups BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed