SCHEMBL6680960

SCHEMBL6680960

CC(C)N1[C]N(c2cccc3ccccc23)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
NCF1 P14598 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
MTOR P42345 1/20 0.36
HTR3A P46098 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 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
SCHEMBL6678527 0.82 POLB (0.46) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL6678441 0.71 CYP1A2 (0.42) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL13425438 0.66 POLB (0.49) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL10037131 0.63 HTR1A (0.57) HSD17B10MAPK1HTR3EHTR3BCYP1A2
SCHEMBL18770820 0.62 POLB (0.63) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL8990319 0.62 POLB (0.63) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL30285929 0.62 POLB (0.63) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL19206396 0.61 ALDH1A1 (0.42) CYP1A2TSHRALDH1A1HPGDKMT2A
SCHEMBL19343021 0.60 POLB (0.61) POLBHSD17B10MAPK1NPC1HTR3E
SCHEMBL4216264 0.60 HSD17B10 (0.48) POLBHSD17B10MAPK1NPC1HTR3E

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
EP-1093475-B1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECH OY (FI) 2004-11-17 EP disclosed
US-6613851-B1 Cyclic carbene- eta -ligand complexes for catalysis of olefin polymerization. BOREALIS TECHNOLOGY OY (FI) 2003-09-02 US disclosed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO disclosed