SCHEMBL6909496

SCHEMBL6909496

[Li]C1(N(C)C)C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OXTR P30559 1/20 0.32

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
SCHEMBL5090884 0.74 OXTR (0.33) KDM4EPKMOXTR
SCHEMBL4660513 0.70 KDM4E (0.37) KDM4EPKMOXTR
SCHEMBL17008829 0.69 KDM4E (0.34) KDM4EPKMOXTR
SCHEMBL1507319 0.69 OXTR (0.31) KDM4EPKMOXTR
SCHEMBL29387054 0.69 KDM4E (0.39) KDM4EPKMOXTR
SCHEMBL251287 0.69 KDM4E (0.39) KDM4EPKMOXTR
SCHEMBL5411844 0.68 OXTR (0.33) KDM4EPKMOXTR
SCHEMBL2287265 0.67 GAA (0.36) KDM4EPKMHTR2CHTR2BOXTR
SCHEMBL29842453 0.67 GAA (0.36) KDM4EPKMHTR2CHTR2BOXTR
Ammonia Solution, Strong SCHEMBL7086115 0.67 KDM4E (0.38) KDM4EPKMOXTR

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
EP-0923589-B1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-15 EP disclosed
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US disclosed