SCHEMBL6679629

SCHEMBL6679629

CCCCN1[C]N(c2c(C)cc(C)cc2C)C=C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.32
CRHR1 P34998 4/20 0.31
LMNA P02545 1/20 0.30
TYR P14679 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL34511 0.76 SELL (0.36) LMNAPOLBSMN1; SMN2
SCHEMBL6680158 0.73 HRH3 (0.32) POLBSMN1; SMN2
SCHEMBL6678022 0.72 TSHR (0.32) LMNAPOLBTSHR
SCHEMBL6678521 0.72 C5AR1 (0.40) LMNAPOLBTSHRSMN1; SMN2
SCHEMBL1232273 0.71
SCHEMBL11029876 0.68
SCHEMBL11029871 0.68
SCHEMBL16206227 0.68 SIGMAR1 (0.35) NR1I2CRHR1LMNATYRSIGMAR1
Bromide SCHEMBL1882250 0.67 SIGMAR1 (0.34) NR1I2CRHR1SIGMAR1POLBTSHR
SCHEMBL9905548 0.66 PTGS1 (0.37) LMNAPOLBTSHRSMN1; SMN2

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-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
EP-1093475-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS Borealis Technology Oy (FI) 2001-04-25 EP disclosed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO disclosed
WO-2000001739-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-01-13 WO disclosed