SCHEMBL5590403

SCHEMBL5590403

CC(=Nc1c(C(C)C)cccc1C(C)C)c1ccnc(C(C)=Nc2c(C(C)C)cccc2C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL16077917 1.00 GABRA1 (0.34) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL5587759 0.92 GABRA1 (0.31) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL5590623 0.86 PLAU (0.32)
SCHEMBL16077923 0.86 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL5587571 0.84 SIGMAR1 (0.40) GABRA1GABRB2
SCHEMBL16077921 0.84 SIGMAR1 (0.40) GABRA1GABRB2
Hydrochloric Acid SCHEMBL6915966 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3FAAHCA1
Hydrochloric Acid SCHEMBL1575753 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3FAAHCA1
Hydrochloric Acid SCHEMBL1685885 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3FAAHCA1
Hydrochloric Acid SCHEMBL7176112 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3FAAHCA1

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed