SCHEMBL3678029

SCHEMBL3678029

CCNCCCc1ccccc1C1=C(C)C(C)C=C1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.33
SLC6A4 P31645 2/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.31
HTR2A P28223 2/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1E P28566 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL18977430 0.70 CHRM2 (0.55) MPOSLC6A4ADRB2CHRM2HTR2A
SCHEMBL3671544 0.66 IDO1 (0.33)
SCHEMBL30740916 0.66 TAAR1 (0.56) MPOSLC6A4CHRM2HTR2AHTR1A
SCHEMBL3201894 0.64 CHRM2 (0.41) CHRM2
SCHEMBL8675623 0.63 MPO (0.41) MPOSLC6A4CHRM2HTR2A
SCHEMBL27593083 0.63 MPO (0.66) MPOCHRM2
SCHEMBL4530303 0.62 MPO (0.44) MPOSLC6A4HTR2A
SCHEMBL21137531 0.62 CYP3A4 (0.42) MPOSLC6A4CHRM2HTR2A
SCHEMBL3441609 0.61 SIGMAR1 (0.75)
SCHEMBL12085586 0.61 CHRM2 (0.60) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966223-B1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEMICAL LTD (KR) 2013-08-14 EP disclosed
US-7807762-B2 Catalyst composition comprising Group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEM, LTD. (KR) 2010-10-05 US disclosed
US-20090005525-A1 Catalyst Composition Comprising Group 4 Transition Metal Complexes and Method for Preparing Polyolefins Using the Same LG CHEM , LTD. (KR) 2009-01-01 US disclosed
EP-1966223-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG Chem. Ltd. (KR) 2008-09-10 EP disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 WO disclosed