SCHEMBL5603963

SCHEMBL5603963

CC1CCCC2=C1[N]c1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.33
HPGD P15428 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL5601110 0.80 ACHE (0.30)
SCHEMBL5603153 0.80 NR1I2 (0.30)
SCHEMBL5603618 0.79 NOS1 (0.32) NOS3NOS1NOS2
SCHEMBL5602459 0.78 NOS2 (0.35) HPGDNOS3NOS1NOS2
SCHEMBL5603391 0.78 NOS2 (0.35) HPGDNOS3NOS1NOS2
SCHEMBL5602761 0.78 IGF1R (0.38) NOS1NOS2
SCHEMBL5601404 0.77 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL5603501 0.77 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL5603456 0.77
SCHEMBL5602159 0.76 NOS1 (0.36) HPGDNOS3NOS1NOS2

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 3 patents. 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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed