SCHEMBL7685142

SCHEMBL7685142

CC(C)c1cccc(C(C)C)c1N=C=C=Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
LMNA P02545 2/20 0.46
FAAH O00519 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL134760 0.86 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL4948079 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL4948083 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1457748 0.82 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL185135 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL191769 0.82 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
Carbimide SCHEMBL27153413 0.80 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL24022546 0.77 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
Carbimide SCHEMBL29047475 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL24228574 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US disclosed
WO-1998045039-A1 POLYMERIZATION CATALYSTS CONTAINING ELECTRON-WITHDRAWING AMIDE LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-15 WO disclosed