SCHEMBL904837

SCHEMBL904837

N#CC(CCCN1CCC(c2c[nH]c3ccccc23)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.62
SLC6A4 P31645 1/20 0.60
CCR3 P51677 1/20 0.57
KCNA3 P22001 2/20 0.56

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
Hydrochloric Acid SCHEMBL7259157 0.81 ADRA1D (0.90) ADRA1DSLC6A4
SCHEMBL4479868 0.80 ADRA1D (0.77) ADRA1DSLC6A4
SCHEMBL7470794 0.80 KCNA3 (0.85) CCR3KCNA3
SCHEMBL14306777 0.79 ADRA1D (0.80) ADRA1DSLC6A4
SCHEMBL9103936 0.78 KCNA3 (0.85) CCR3KCNA3
Hydrochloric Acid SCHEMBL7255365 0.78 ADRA1D (0.80) ADRA1DSLC6A4
SCHEMBL11039326 0.77 ADRA1D (0.77) ADRA1DSLC6A4
SCHEMBL5705230 0.77 SLC6A4 (0.90) ADRA1DSLC6A4
SCHEMBL4468600 0.77 ADRA1D (0.72) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL9032172 0.77 ADRA1D (0.74) ADRA1DSLC6A4

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-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed