SCHEMBL904860

SCHEMBL904860

N#CC(CCCN1CCC(n2ncc3ccccc32)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.57
KCNA3 P22001 4/20 0.51
CCR1 P32246 9/20 0.48

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
SCHEMBL904833 0.81 CCR3 (0.57) CCR3KCNA3CCR1
SCHEMBL904859 0.77 DRD2 (0.58) CCR3KCNA3CCR1
SCHEMBL9103936 0.76 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL904831 0.76 CCR3 (0.64) CCR3KCNA3CCR1
SCHEMBL31637039 0.75 SCD (0.47)
SCHEMBL7470794 0.75 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL31636991 0.73 SCD (0.46)
SCHEMBL904853 0.73 CCR3 (0.55) CCR3KCNA3CCR1
SCHEMBL904899 0.72 CCR3 (0.59) CCR3KCNA3CCR1
Hydrochloric Acid SCHEMBL11627731 0.72 CCR3 (0.62) CCR3KCNA3CCR1

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