SCHEMBL5600825

SCHEMBL5600825

CCCCCCC(C)C1CCCC2=C1[N]c1ccccc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
OPRL1 P41146 2/20 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
SCHEMBL5603164 1.00 NR5A2 (0.31) NR5A2NR5A1OPRM1OPRD1OPRK1
SCHEMBL5603159 1.00 NR5A2 (0.31) NR5A2NR5A1OPRM1OPRD1OPRK1
SCHEMBL5603474 1.00 NR5A2 (0.31) NR5A2NR5A1OPRM1OPRD1OPRK1
SCHEMBL5603505 1.00 NR5A2 (0.31) NR5A2NR5A1OPRM1OPRD1OPRK1
SCHEMBL5604320 1.00 NR5A2 (0.31) NR5A2NR5A1OPRM1OPRD1OPRK1
SCHEMBL5601475 0.99 SIGMAR1 (0.30) NR5A2NR5A1
SCHEMBL5600977 0.95 SIGMAR1 (0.31)
SCHEMBL5603423 0.93
SCHEMBL5600266 0.85 ACE (0.33)
SCHEMBL5603153 0.80 NR1I2 (0.30)

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