SCHEMBL3748263

SCHEMBL3748263

[AsH2]C1CCc2cc(Br)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.45
ADRA2A P08913 4/20 0.45
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
ASIC3 Q9UHC3 1/20 0.43
FAAH O00519 1/20 0.39
CYP11B2 P19099 1/20 0.37
OPRK1 P41145 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7551539 0.84 PNMT (0.48) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL7551545 0.84 PNMT (0.48) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL4758601 0.77 PNMT (0.51) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL2892133 0.77 CYP1A2 (0.49) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL6407573 0.77 CYP1A2 (0.49) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL354979 0.77 OPRK1 (0.62) OPRK1
SCHEMBL354978 0.77 OPRK1 (0.62) OPRK1
SCHEMBL3020673 0.77 OPRK1 (0.62) OPRK1
SCHEMBL9071241 0.77 PNMT (0.51) PNMTADRA2AADRA2BADRA2CASIC3
Hydrochloric Acid SCHEMBL4117494 0.76 OPRK1 (0.61) OPRK1

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-2188273-A2 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS Sanofi-Aventis (FR) 2010-05-26 EP disclosed
WO-2009021740-A2 SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFIS-AVENTIS (FR) 2009-02-19 WO disclosed