SCHEMBL2584656

SCHEMBL2584656

CCOc1nccnc1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CACNA2D1 P54289 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A2 P23975 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL29466583 0.82 TRPM8 (0.39) HPGDPDE3BPDE3AALDH1A1TRPM8
SCHEMBL113424 0.82 TRPM8 (0.39) HPGDPDE3BPDE3AALDH1A1TRPM8
SCHEMBL2585538 0.79 SMN1; SMN2 (0.44) HPGDSMN1; SMN2PDE3BPDE3ALRRK2
SCHEMBL18858530 0.78 PDE3B (0.44) HPGDPDE3BPDE3ATRPM8KDM4E
SCHEMBL28249387 0.77 PDE3B (0.37) HPGDPDE3BPDE3AALDH1A1TRPM8
SCHEMBL11437617 0.75 SMN1; SMN2 (0.43) HPGDSMN1; SMN2LRRK2GRM5ALDH1A1
SCHEMBL2586207 0.75 SMN1; SMN2 (0.41) HPGDSMN1; SMN2PDE3BPDE3ALRRK2
SCHEMBL7598688 0.75 HPGD (0.52) HPGDSMN1; SMN2LRRK2GRM5ALDH1A1
SCHEMBL13980103 0.74 PDE3B (0.40) HPGDPDE3BPDE3ATRPM8KDM4E
SCHEMBL30610258 0.74 PDE3B (0.40) HPGDPDE3BPDE3ATRPM8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8052959-B2 Hydrogen supply device and method of supplying hydrogen TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2011-11-08 US disclosed
US-20100163802-A1 HYDROGEN SUPPLY DEVICE AND METHOD OF SUPPLYING HYDROGEN TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
WO-2004024853-A1 ALKOXY PYRAZINES FOR ODORISING GAS SYMRISE GMBH & CO. KG (DE) 2004-03-25 WO disclosed