SCHEMBL7108903

SCHEMBL7108903

CC1(C)OC(CC2=N[C@H](Cc3ccccc3)C(C)(C)O2)=N[C@@H]1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.35
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
IDH1 O75874 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.31
CALM1 P0DP23 1/20 0.31
TLR9 Q9NR96 1/20 0.31
NOS3 P29474 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
PRTN3 P24158 1/20 0.31

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
SCHEMBL7213618 0.98 TAAR1 (0.34) TAAR1NOS1NOS2IDH1SLC6A2
Bromide SCHEMBL715248 0.97 TAAR1 (0.33) TAAR1NOS1NOS2IDH1SLC6A2
SCHEMBL5899783 0.94 NOS1 (0.34) TAAR1NOS1NOS2IDH1
SCHEMBL4951485 0.87 TAAR1 (0.33) TAAR1NOS1NOS2
SCHEMBL7106005 0.81 TAAR1 (0.33) TAAR1NOS1NOS2IDH1SLC6A2
SCHEMBL7101863 0.81 TAAR1 (0.33) TAAR1NOS1NOS2SLC6A2SLC6A4
SCHEMBL3825259 0.80 TAAR1 (0.33) TAAR1NOS1NOS2IDH1SLC6A2
SCHEMBL7103273 0.79 TAAR1 (0.34) TAAR1NOS1NOS2SLC6A2SLC6A4
Bromide SCHEMBL714778 0.78 TAAR1 (0.32) TAAR1NOS1NOS2IDH1
Bromide SCHEMBL713519 0.78 TAAR1 (0.32) TAAR1NOS1NOS2

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
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed