SCHEMBL5602313

SCHEMBL5602313

Cc1ccccc1C1CCC2=C1c1ccccc1[N]2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HTR2C P28335 4/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TNKS2 Q9H2K2 2/20 0.32
PBRM1 Q86U86 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL5603958 0.78 PDGFRA (0.38) DDB1CRBNALDH1A1L3MBTL1
SCHEMBL5604114 0.76 NOS3 (0.32)
SCHEMBL5603207 0.74 CYP26A1 (0.41)
SCHEMBL5603283 0.72 DDB1 (0.40) DDB1CRBNHTR2CALDH1A1KDM4E
SCHEMBL5602878 0.72 HTT (0.30)
SCHEMBL5612680 0.72 CYP19A1 (0.30)
SCHEMBL5601216 0.71 MAPT (0.31)
SCHEMBL5600098 0.71
SCHEMBL5601533 0.71 ACE (0.35)
SCHEMBL5604045 0.70 CYP19A1 (0.33)

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