SCHEMBL4988366

SCHEMBL4988366

CCC1(CC)c2ccccc2C(CC)(CC)N1C(C)(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.39
TAAR1 Q96RJ0 1/20 0.35
KCNN4 O15554 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
ELANE P08246 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CYP3A4 P08684 1/20 0.31
NR3C2 P08235 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
SCHEMBL15071292 0.69 ALDH1A1 (0.34) CYP2C19ALDH1A1ELANE
SCHEMBL325978 0.67 CYP1A2 (0.34) CYP2C19ALDH1A1ELANE
SCHEMBL29728008 0.67 CYP1A2 (0.34) CYP2C19ALDH1A1ELANE
SCHEMBL1297947 0.65 ELANE (0.46) CYP2C19ALDH1A1ELANE
SCHEMBL18217969 0.64 PKM (0.33) ALDH1A1ELANE
SCHEMBL4986806 0.63 SLC6A3 (0.40)
SCHEMBL18419705 0.62 TAAR1 (0.46) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL2170468 0.61 KCNN4 (0.48) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL5740730 0.61 TAAR1 (0.50) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL474982 0.61 TAAR1 (0.50) TAAR1KCNN4MAPK1CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388052-B2 Process for the preparation of block copolymers POLIMERI EUROPA S.P.A. (IT) 2008-06-17 US claimed
EP-1519970-B1 PROCESS FOR THE PREPARATION OF BLOCK COPOLYMERS POLIMERI EUROPA SPA (IT) 2007-10-24 EP claimed
US-20070219329-A1 polymerizing styrene using a nitroxy free radical catalyst, then adding methacrylonitrile; 2-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propionitrile catalyst; POLIMERI EUROPA S.P.A. (IT) 2007-09-20 US claimed
US-7388052-B2 Process for the preparation of block copolymers POLIMERI EUROPA S.P.A. (IT) 2008-06-17 US disclosed
EP-1519970-B1 PROCESS FOR THE PREPARATION OF BLOCK COPOLYMERS POLIMERI EUROPA SPA (IT) 2007-10-24 EP disclosed
US-20070219329-A1 polymerizing styrene using a nitroxy free radical catalyst, then adding methacrylonitrile; 2-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propionitrile catalyst; POLIMERI EUROPA S.P.A. (IT) 2007-09-20 US disclosed