SCHEMBL6444610

SCHEMBL6444610

CC1COC(c2ccccc2)N1CCCO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SLC18A3 Q16572 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.36
TSHR P16473 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
F10 P00742 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6442194 0.91 SLC18A3 (0.44) ALDH1A1SLC18A3MAPK1HTR1ATSHR
SCHEMBL30722427 0.77 CHRM2 (0.40) ALDH1A1HPGDTSHRSIGMAR1
SCHEMBL6442748 0.77 SLC18A3 (0.38) ALDH1A1SLC18A3HPGDHTR1ATSHR
SCHEMBL6441418 0.72
SCHEMBL6441298 0.71 ALDH1A1 (0.50) ALDH1A1SLC18A3HPGDTSHRCA1
SCHEMBL6445634 0.71 SIGMAR1 (0.39) ALDH1A1SLC18A3HPGDTSHRSIGMAR1
SCHEMBL6444601 0.70 SLC18A3 (0.44) ALDH1A1SLC18A3HPGDHTR1ATSHR
SCHEMBL6441141 0.68
SCHEMBL4364120 0.68
SCHEMBL14608922 0.68 POLB (0.44) ALDH1A1HPGDHTR1ATSHR

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-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
EP-1537158-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-06-08 EP disclosed
WO-2004022621-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-18 WO disclosed