SCHEMBL17000433

SCHEMBL17000433

COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1C

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.81
EBP Q15125 2/20 0.81
TMEM97 Q5BJF2 1/20 0.81
EBPL Q9BY08 1/20 0.74
ABCB1 P08183 1/20 0.59

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
[11C]Sa4503 SCHEMBL29358558 0.90 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPLABCB1
[11C]Sa4503 SCHEMBL968642 0.90 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPLABCB1
[11C]Sa4503 SCHEMBL29358694 0.88 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8088187 0.88 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPLABCB1
[11C]Sa4503 SCHEMBL1299046 0.88 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL8083210 0.87 SIGMAR1 (0.95) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL1299348 0.86 SIGMAR1 (0.79) SIGMAR1EBPTMEM97EBPL
SCHEMBL8086559 0.86 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8075024 0.85 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL1298925 0.85 SIGMAR1 (0.77) SIGMAR1EBPTMEM97EBPL

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
WO-2015118365-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2015-08-13 WO disclosed