SCHEMBL6065173

SCHEMBL6065173

CNCCNc1c(C)cccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
HTR1B P28222 1/20 0.44
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TERT O14746 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL5840221 0.91 MAPT (0.54) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814598 0.84 MAPT (0.48) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814427 0.82 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814335 0.82 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814019 0.82 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL814657 0.82 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL816147 0.82 MAPT (0.46) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL5838710 0.81 MAPT (0.44) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL5840516 0.81 MAPT (0.44) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL1259718 0.80 MAPT (0.42) MAPTHTTHTR1BCYP1A2CYP3A4

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-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-4479962-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1984-10-30 US disclosed
EP-0071950-A1 Heteroarylpropanol amines, process for preparing them and medicines containing these compounds Roche Diagnostics GmbH (DE) 1983-02-16 EP disclosed