SCHEMBL5602672

SCHEMBL5602672

CC1CC2=C(c3ccccc3[N]2)C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.30
NOS2 P35228 2/20 0.30
NOS1 P29475 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
SCHEMBL5600296 0.69
SCHEMBL5603559 0.65
SCHEMBL5600831 0.64 PDK2 (0.33)
SCHEMBL21189877 0.63 AKT1 (0.43)
SCHEMBL5602955 0.62 ALDH1A1 (0.31)
SCHEMBL5604114 0.62 NOS3 (0.32) NOS3NOS2NOS1
SCHEMBL5600098 0.61
SCHEMBL5602444 0.60 ESR1 (0.30)
SCHEMBL15041792 0.60 ACHE (0.52) NOS3NOS2
SCHEMBL16691535 0.60 ACHE (0.52) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed