SCHEMBL6444637

SCHEMBL6444637

CC(O)CN1CCOC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL8863550 0.79 HTR1A (0.45) L3MBTL1HTR1AALDH1A1SMN1; SMN2CHRM2
SCHEMBL22129534 0.78 TP53 (0.45) L3MBTL1HTR1ACYP2D6
SCHEMBL8564488 0.76 L3MBTL1 (0.48) SLC18A3L3MBTL1HTR1AALDH1A1HRH3
SCHEMBL6446078 0.76 SLC18A3 (0.50) SLC18A3L3MBTL1HTR1AALDH1A1KDM4E
SCHEMBL6444619 0.75 ALDH1A1 (0.41) SLC18A3L3MBTL1ALDH1A1CA1CA2
SCHEMBL22122581 0.74 DRD2 (0.44) L3MBTL1HTR1ASMN1; SMN2CHRM2CHRM1
SCHEMBL6444601 0.74 SLC18A3 (0.44) SLC18A3L3MBTL1HTR1AALDH1A1SMN1; SMN2
SCHEMBL10795324 0.72 L3MBTL1 (0.36) L3MBTL1HTR1AALDH1A1SMN1; SMN2KCNH2
SCHEMBL30251939 0.72 CA1 (0.41) SLC18A3CA1CA2KDM4E
SCHEMBL2231338 0.72 PDK1 (0.30)

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