SCHEMBL904853

SCHEMBL904853

N#CC(CCCN1CCC(n2c(=O)oc3ccccc32)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.55
ADRA1D P25100 9/20 0.54
ADRA1A P35348 9/20 0.54
ADRA1B P35368 9/20 0.54
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
KCNA3 P22001 3/20 0.49
CCR1 P32246 1/20 0.46

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
SCHEMBL1855782 0.76 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL27048956 0.76 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL9103936 0.74 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL1861402 0.74 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL904831 0.74 CCR3 (0.64) CCR3KCNA3CCR1
SCHEMBL904860 0.73 CCR3 (0.57) CCR3KCNA3CCR1
SCHEMBL904833 0.73 CCR3 (0.57) CCR3HTR2AHTR7KCNA3CCR1
SCHEMBL904859 0.73 DRD2 (0.58) CCR3KCNA3CCR1
SCHEMBL7470794 0.73 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL904904 0.73 ADRA1A (0.66) ADRA1DADRA1AADRA1BHTR2AHTR7

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